(2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine

C18H29NO — CID 10912755

IUPAC(2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine
SMILESCCC[C@@H]1CCCCN1O[C@@H](CCC)c1ccccc1
InChIInChI=1S/C18H29NO/c1-3-10-17-14-8-9-15-19(17)20-18(11-4-2)16-12-6-5-7-13-16/h5-7,12-13,17-18H,3-4,8-11,14-15H2,1-2H3/t17-,18+/m1/s1
InChIKeyBGSXFWOCDNHHGH-MSOLQXFVSA-N
MW275.44 g/mol
LogP5.11
Rot. Bonds7

About (2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine

(2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine (PubChem CID 10912755) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine.

Molecular Properties

Compound Name(2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine
PubChem CID10912755
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine
SMILESCCC[C@@H]1CCCCN1O[C@@H](CCC)c1ccccc1
InChIInChI=1S/C18H29NO/c1-3-10-17-14-8-9-15-19(17)20-18(11-4-2)16-12-6-5-7-13-16/h5-7,12-13,17-18H,3-4,8-11,14-15H2,1-2H3/t17-,18+/m1/s1
InChIKeyBGSXFWOCDNHHGH-MSOLQXFVSA-N
XLogP5.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-methylpropyl)-1-[(1S)-1-phenylbutoxy]pyrrolidine
CID 11129540
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
(2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol
CID 10490739
(2S)-2-phenyl-1-[(1S)-1-phenylbutoxy]-2,3,4,7-tetrahydroazepine
CID 11067216
4-amino-4-phenyl-1-(2-propylpiperidin-1-yl)butan-1-one
CID 83052689
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-ol
CID 83062205
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine
CID 63455775
(1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine
CID 10710619
[(3aR,7aR)-2-[(1R)-1-phenylbutoxy]-2-sulfanylidene-3-(trimethylsilylmethyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-1-yl]methyl-trimethylsilane
CID 23421755
[(3aR,7aR)-2-[(1S)-1-phenylbutoxy]-2-sulfanylidene-3-(trimethylsilylmethyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-1-yl]methyl-trimethylsilane
CID 23421756
(2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol
CID 10636143

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine?
The IUPAC name of (2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine (CID 10912755) is (2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine.
What is the SMILES notation for (2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine?
The canonical SMILES for (2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine is CCC[C@@H]1CCCCN1O[C@@H](CCC)c1ccccc1.
What is the InChIKey of (2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine?
The InChIKey is BGSXFWOCDNHHGH-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-10-17-14-8-9-15-19(17)20-18(11-4-2)16-12-6-5-7-13-16/h5-7,12-13,17-18H,3-4,8-11,14-15H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of (2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine?
(2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine has a molecular weight of 275.44 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1S)-1-phenylbutoxy]-2-propylpiperidine is sourced from PubChem (CID 10912755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).