1-[(1R)-1-phenylethyl]-2-propylpiperidine

C16H25N — CID 118395761

IUPAC1-[(1R)-1-phenylethyl]-2-propylpiperidine
SMILESCCCC1CCCCN1[C@H](C)c1ccccc1
InChIInChI=1S/C16H25N/c1-3-9-16-12-7-8-13-17(16)14(2)15-10-5-4-6-11-15/h4-6,10-11,14,16H,3,7-9,12-13H2,1-2H3/t14-,16?/m1/s1
InChIKeyIWQGBDXKOWRURK-IURRXHLWSA-N
MW231.38 g/mol
LogP4.40
Rot. Bonds4

About 1-[(1R)-1-phenylethyl]-2-propylpiperidine

1-[(1R)-1-phenylethyl]-2-propylpiperidine (PubChem CID 118395761) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-2-propylpiperidine.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-2-propylpiperidine
PubChem CID118395761
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-[(1R)-1-phenylethyl]-2-propylpiperidine
SMILESCCCC1CCCCN1[C@H](C)c1ccccc1
InChIInChI=1S/C16H25N/c1-3-9-16-12-7-8-13-17(16)14(2)15-10-5-4-6-11-15/h4-6,10-11,14,16H,3,7-9,12-13H2,1-2H3/t14-,16?/m1/s1
InChIKeyIWQGBDXKOWRURK-IURRXHLWSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-ol
CID 83062205
1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338177
(2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol
CID 10490739
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055659
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
(2R)-2-(4,4-dimethoxybutyl)-1-[(1S)-1-phenylethyl]pyrrolidine
CID 14634536
1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546242
1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83053735
(6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one
CID 11402324
(2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol
CID 10636143

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-2-propylpiperidine?
The IUPAC name of 1-[(1R)-1-phenylethyl]-2-propylpiperidine (CID 118395761) is 1-[(1R)-1-phenylethyl]-2-propylpiperidine.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-2-propylpiperidine?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-2-propylpiperidine is CCCC1CCCCN1[C@H](C)c1ccccc1.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-2-propylpiperidine?
The InChIKey is IWQGBDXKOWRURK-IURRXHLWSA-N. The full InChI is InChI=1S/C16H25N/c1-3-9-16-12-7-8-13-17(16)14(2)15-10-5-4-6-11-15/h4-6,10-11,14,16H,3,7-9,12-13H2,1-2H3/t14-,16?/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-2-propylpiperidine?
1-[(1R)-1-phenylethyl]-2-propylpiperidine has a molecular weight of 231.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-2-propylpiperidine is sourced from PubChem (CID 118395761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).