(Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine

C66H81F3N10 — CID 144962031

IUPAC(Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
SMILES[H]/N=C/C(Cc1ccccc1)=C(\N)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.c1ccc(Cc2cn[nH]c2C2CCN(CC3CCCCC3)CC2)cc1.c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C23H26F3N3.C22H31N3.C21H24N4/c24-23(25,26)21-8-6-18(7-9-21)16-29-12-10-19(11-13-29)22(28)20(15-27)14-17-4-2-1-3-5-17;1-3-7-18(8-4-1)15-21-16-23-24-22(21)20-11-13-25(14-12-20)17-19-9-5-2-6-10-19;1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-9,15,19,27H,10-14,16,28H2;1,3-4,7-8,16,19-20H,2,5-6,9-15,17H2,(H,23,24);1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24)/b22-20-,27-15+;;
InChIKeyDUIUHRCISPLLAJ-AQHAAEFZSA-N
MW1071.44 g/mol
LogP13.56
Rot. Bonds16

About (Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine

(Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine (PubChem CID 144962031) has the molecular formula C66H81F3N10 and a molecular weight of 1071.44 g/mol. Its IUPAC name is (Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name(Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
PubChem CID144962031
Molecular FormulaC66H81F3N10
Molecular Weight1071.44 g/mol
Exact Mass1070.66
IUPAC Name(Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
SMILES[H]/N=C/C(Cc1ccccc1)=C(\N)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.c1ccc(Cc2cn[nH]c2C2CCN(CC3CCCCC3)CC2)cc1.c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C23H26F3N3.C22H31N3.C21H24N4/c24-23(25,26)21-8-6-18(7-9-21)16-29-12-10-19(11-13-29)22(28)20(15-27)14-17-4-2-1-3-5-17;1-3-7-18(8-4-1)15-21-16-23-24-22(21)20-11-13-25(14-12-20)17-19-9-5-2-6-10-19;1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-9,15,19,27H,10-14,16,28H2;1,3-4,7-8,16,19-20H,2,5-6,9-15,17H2,(H,23,24);1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24)/b22-20-,27-15+;;
InChIKeyDUIUHRCISPLLAJ-AQHAAEFZSA-N
XLogP13.56
TPSA129.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.44
LogP ≤ 513.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of (Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine (CID 144962031) is (Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for (Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for (Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine is [H]/N=C/C(Cc1ccccc1)=C(\N)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.c1ccc(Cc2cn[nH]c2C2CCN(CC3CCCCC3)CC2)cc1.c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of (Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
The InChIKey is DUIUHRCISPLLAJ-AQHAAEFZSA-N. The full InChI is InChI=1S/C23H26F3N3.C22H31N3.C21H24N4/c24-23(25,26)21-8-6-18(7-9-21)16-29-12-10-19(11-13-29)22(28)20(15-27)14-17-4-2-1-3-5-17;1-3-7-18(8-4-1)15-21-16-23-24-22(21)20-11-13-25(14-12-20)17-19-9-5-2-6-10-19;1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-9,15,19,27H,10-14,16,28H2;1,3-4,7-8,16,19-20H,2,5-6,9-15,17H2,(H,23,24);1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24)/b22-20-,27-15+;;.
What are the key properties of (Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
(Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine has a molecular weight of 1071.44 g/mol, XLogP of 13.56, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-benzyl-3-imino-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]prop-1-en-1-amine;4-(4-benzyl-1H-pyrazol-5-yl)-1-(cyclohexylmethyl)piperidine;4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 144962031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).