2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol

C17H26N2O — CID 78945281

IUPAC2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
SMILESOC(CN1CCC(NCC2CC2)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c20-17(15-4-2-1-3-5-15)13-19-10-8-16(9-11-19)18-12-14-6-7-14/h1-5,14,16-18,20H,6-13H2
InChIKeyUGXTWMHVPHWILZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.18
Rot. Bonds6

About 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol (PubChem CID 78945281) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
PubChem CID78945281
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
SMILESOC(CN1CCC(NCC2CC2)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c20-17(15-4-2-1-3-5-15)13-19-10-8-16(9-11-19)18-12-14-6-7-14/h1-5,14,16-18,20H,6-13H2
InChIKeyUGXTWMHVPHWILZ-UHFFFAOYSA-N
XLogP2.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376
(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol
CID 95290947
2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145394980
(1R)-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 124743423
1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile
CID 48940005
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 97217880
2-[4-(3-methylanilino)piperidin-1-yl]-1-phenylethanol
CID 111457377
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707
(1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95751286

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol (CID 78945281) is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol is OC(CN1CCC(NCC2CC2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol?
The InChIKey is UGXTWMHVPHWILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17(15-4-2-1-3-5-15)13-19-10-8-16(9-11-19)18-12-14-6-7-14/h1-5,14,16-18,20H,6-13H2.
What are the key properties of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol?
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol has a molecular weight of 274.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 78945281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).