ethane;1-phenyl-3-propylpiperidine

C18H33N — CID 123157098

IUPACethane;1-phenyl-3-propylpiperidine
SMILESCC.CC.CCCC1CCCN(c2ccccc2)C1
InChIInChI=1S/C14H21N.2C2H6/c1-2-7-13-8-6-11-15(12-13)14-9-4-3-5-10-14;2*1-2/h3-5,9-10,13H,2,6-8,11-12H2,1H3;2*1-2H3
InChIKeyAVLRIOBJKXQRII-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.76
Rot. Bonds3

About ethane;1-phenyl-3-propylpiperidine

ethane;1-phenyl-3-propylpiperidine (PubChem CID 123157098) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is ethane;1-phenyl-3-propylpiperidine.

Molecular Properties

Compound Nameethane;1-phenyl-3-propylpiperidine
PubChem CID123157098
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Nameethane;1-phenyl-3-propylpiperidine
SMILESCC.CC.CCCC1CCCN(c2ccccc2)C1
InChIInChI=1S/C14H21N.2C2H6/c1-2-7-13-8-6-11-15(12-13)14-9-4-3-5-10-14;2*1-2/h3-5,9-10,13H,2,6-8,11-12H2,1H3;2*1-2H3
InChIKeyAVLRIOBJKXQRII-UHFFFAOYSA-N
XLogP5.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde
CID 123495598
1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone
CID 142154089
N-cyclohexyl-N-[2-(1-phenylpiperidin-3-yl)ethyl]formamide
CID 143229397
4-(3-ethylpiperidin-1-yl)aniline
CID 43584200
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
3-methoxy-1-phenylpiperidine
CID 70382121
2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824658
N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine
CID 83998581
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
[3-(4-propylazepan-1-yl)phenyl]methanamine
CID 102814056
1-(3-methylsulfonylphenyl)-3-propylpyrrolidine
CID 10445709
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344

Frequently Asked Questions

What is the IUPAC name of ethane;1-phenyl-3-propylpiperidine?
The IUPAC name of ethane;1-phenyl-3-propylpiperidine (CID 123157098) is ethane;1-phenyl-3-propylpiperidine.
What is the SMILES notation for ethane;1-phenyl-3-propylpiperidine?
The canonical SMILES for ethane;1-phenyl-3-propylpiperidine is CC.CC.CCCC1CCCN(c2ccccc2)C1.
What is the InChIKey of ethane;1-phenyl-3-propylpiperidine?
The InChIKey is AVLRIOBJKXQRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.2C2H6/c1-2-7-13-8-6-11-15(12-13)14-9-4-3-5-10-14;2*1-2/h3-5,9-10,13H,2,6-8,11-12H2,1H3;2*1-2H3.
What are the key properties of ethane;1-phenyl-3-propylpiperidine?
ethane;1-phenyl-3-propylpiperidine has a molecular weight of 263.47 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenyl-3-propylpiperidine is sourced from PubChem (CID 123157098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).