[3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol

C14H22N2O — CID 174553804

IUPAC[3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol
SMILESC[C@@H](NC1CNCCC1CO)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(12-5-3-2-4-6-12)16-14-9-15-8-7-13(14)10-17/h2-6,11,13-17H,7-10H2,1H3/t11-,13?,14?/m1/s1
InChIKeyBQRDTVZIEWRQQS-LMWSTFAQSA-N
MW234.34 g/mol
LogP1.31
Rot. Bonds4

About [3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol

[3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol (PubChem CID 174553804) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol
PubChem CID174553804
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol
SMILESC[C@@H](NC1CNCCC1CO)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(12-5-3-2-4-6-12)16-14-9-15-8-7-13(14)10-17/h2-6,11,13-17H,7-10H2,1H3/t11-,13?,14?/m1/s1
InChIKeyBQRDTVZIEWRQQS-LMWSTFAQSA-N
XLogP1.31
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol?
The IUPAC name of [3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol (CID 174553804) is [3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol.
What is the SMILES notation for [3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol?
The canonical SMILES for [3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol is C[C@@H](NC1CNCCC1CO)c1ccccc1.
What is the InChIKey of [3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol?
The InChIKey is BQRDTVZIEWRQQS-LMWSTFAQSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(12-5-3-2-4-6-12)16-14-9-15-8-7-13(14)10-17/h2-6,11,13-17H,7-10H2,1H3/t11-,13?,14?/m1/s1.
What are the key properties of [3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol?
[3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol is sourced from PubChem (CID 174553804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).