(2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol

C17H28N2O — CID 95130314

IUPAC(2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol
SMILESC[C@@H](CO)NCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-15(14-20)18-13-17-8-11-19(12-9-17)10-7-16-5-3-2-4-6-16/h2-6,15,17-18,20H,7-14H2,1H3/t15-/m0/s1
InChIKeyDFDDWUDVUNDSST-HNNXBMFYSA-N
MW276.42 g/mol
LogP1.91
Rot. Bonds7

About (2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol

(2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol (PubChem CID 95130314) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol
PubChem CID95130314
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol
SMILESC[C@@H](CO)NCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-15(14-20)18-13-17-8-11-19(12-9-17)10-7-16-5-3-2-4-6-16/h2-6,15,17-18,20H,7-14H2,1H3/t15-/m0/s1
InChIKeyDFDDWUDVUNDSST-HNNXBMFYSA-N
XLogP1.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
1,4-bis(2-phenylethyl)piperidine
CID 86059939
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 16886993
2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol
CID 115677253
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol
CID 106126000

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol?
The IUPAC name of (2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol (CID 95130314) is (2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol is C[C@@H](CO)NCC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of (2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol?
The InChIKey is DFDDWUDVUNDSST-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15(14-20)18-13-17-8-11-19(12-9-17)10-7-16-5-3-2-4-6-16/h2-6,15,17-18,20H,7-14H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol?
(2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol is sourced from PubChem (CID 95130314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).