(3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine

C18H26N4 — CID 42194213

IUPAC(3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine
SMILESCC(C)c1ccc(N[C@@H]2CCCN(Cc3ccn[nH]3)C2)cc1
InChIInChI=1S/C18H26N4/c1-14(2)15-5-7-16(8-6-15)20-17-4-3-11-22(12-17)13-18-9-10-19-21-18/h5-10,14,17,20H,3-4,11-13H2,1-2H3,(H,19,21)/t17-/m1/s1
InChIKeyOSBXDGRXCIEXQA-QGZVFWFLSA-N
MW298.43 g/mol
LogP3.61
Rot. Bonds5

About (3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine

(3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine (PubChem CID 42194213) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is (3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine
PubChem CID42194213
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name(3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine
SMILESCC(C)c1ccc(N[C@@H]2CCCN(Cc3ccn[nH]3)C2)cc1
InChIInChI=1S/C18H26N4/c1-14(2)15-5-7-16(8-6-15)20-17-4-3-11-22(12-17)13-18-9-10-19-21-18/h5-10,14,17,20H,3-4,11-13H2,1-2H3,(H,19,21)/t17-/m1/s1
InChIKeyOSBXDGRXCIEXQA-QGZVFWFLSA-N
XLogP3.61
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 42199390
N-(4-propan-2-ylphenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45242588
5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 95715011
2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 129343785
2-N,2-N-dimethyl-5-N-[(4R)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 129343786
2-methylsulfanyl-1-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethanone
CID 45190494
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-2-sulfanylethanone
CID 146483126
(3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine
CID 42525472
N-(1-methylpyrazol-4-yl)-2-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]acetamide
CID 95719460
3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 126466148
N-methyl-3-[[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 124988938
N-(4-propan-2-ylphenyl)-1-(thian-4-yl)piperidin-3-amine
CID 56718877

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine?
The IUPAC name of (3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine (CID 42194213) is (3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine.
What is the SMILES notation for (3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine?
The canonical SMILES for (3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine is CC(C)c1ccc(N[C@@H]2CCCN(Cc3ccn[nH]3)C2)cc1.
What is the InChIKey of (3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine?
The InChIKey is OSBXDGRXCIEXQA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N4/c1-14(2)15-5-7-16(8-6-15)20-17-4-3-11-22(12-17)13-18-9-10-19-21-18/h5-10,14,17,20H,3-4,11-13H2,1-2H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine?
(3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine has a molecular weight of 298.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 42194213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).