ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate

C17H26N2O3 — CID 67307313

IUPACethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(CC)c2ccccc2)CC1O
InChIInChI=1S/C17H26N2O3/c1-3-15(13-8-6-5-7-9-13)19-11-10-14(16(20)12-19)18-17(21)22-4-2/h5-9,14-16,20H,3-4,10-12H2,1-2H3,(H,18,21)
InChIKeyHDINDPVGQOJRJU-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.32
Rot. Bonds5

About ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate

ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate (PubChem CID 67307313) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate
PubChem CID67307313
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nameethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(CC)c2ccccc2)CC1O
InChIInChI=1S/C17H26N2O3/c1-3-15(13-8-6-5-7-9-13)19-11-10-14(16(20)12-19)18-17(21)22-4-2/h5-9,14-16,20H,3-4,10-12H2,1-2H3,(H,18,21)
InChIKeyHDINDPVGQOJRJU-UHFFFAOYSA-N
XLogP2.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
N,3-dimethyl-1-(1-phenylpropyl)piperidin-4-amine
CID 62304545
tert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate
CID 67306918
3-methyl-1-(1-phenylpropyl)piperidin-4-amine
CID 55058050
4-(1-phenylpropyl)morpholine-2-carboxylic acid
CID 65067366
ethyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate
CID 85295930
ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate
CID 67914576
3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane
CID 87349860
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetate
CID 135312159
ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate
CID 9046776
methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate
CID 63382677

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate (CID 67307313) is ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate is CCOC(=O)NC1CCN(C(CC)c2ccccc2)CC1O.
What is the InChIKey of ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate?
The InChIKey is HDINDPVGQOJRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-15(13-8-6-5-7-9-13)19-11-10-14(16(20)12-19)18-17(21)22-4-2/h5-9,14-16,20H,3-4,10-12H2,1-2H3,(H,18,21).
What are the key properties of ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate?
ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 67307313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).