1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol

C27H36N4O — CID 86903270

IUPAC1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol
SMILESCC(C)c1nn(-c2ccccc2)cc1CNCC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C27H36N4O/c1-21(2)27-24(19-31(29-27)25-11-7-4-8-12-25)18-28-17-22-13-15-30(16-14-22)20-26(32)23-9-5-3-6-10-23/h3-12,19,21-22,26,28,32H,13-18,20H2,1-2H3
InChIKeyLDINSQWRLYIXDO-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.53
Rot. Bonds9

About 1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol

1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol (PubChem CID 86903270) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is 1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol
PubChem CID86903270
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC Name1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol
SMILESCC(C)c1nn(-c2ccccc2)cc1CNCC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C27H36N4O/c1-21(2)27-24(19-31(29-27)25-11-7-4-8-12-25)18-28-17-22-13-15-30(16-14-22)20-26(32)23-9-5-3-6-10-23/h3-12,19,21-22,26,28,32H,13-18,20H2,1-2H3
InChIKeyLDINSQWRLYIXDO-UHFFFAOYSA-N
XLogP4.53
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol with MolForge

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Related Compounds

(1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95751286
1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
CID 111118849
(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol
CID 95290947
(2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95290386
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine
CID 119122665
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
CID 78945281
(2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95335410
(2R)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95335411
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
(2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274150
(2S)-1-[4-[[(2-ethoxyphenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95273065
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol (CID 86903270) is 1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol is CC(C)c1nn(-c2ccccc2)cc1CNCC1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol?
The InChIKey is LDINSQWRLYIXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c1-21(2)27-24(19-31(29-27)25-11-7-4-8-12-25)18-28-17-22-13-15-30(16-14-22)20-26(32)23-9-5-3-6-10-23/h3-12,19,21-22,26,28,32H,13-18,20H2,1-2H3.
What are the key properties of 1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol?
1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol has a molecular weight of 432.61 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 86903270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).