1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine

C19H32N2 — CID 63011582

IUPAC1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine
SMILESCCCN1CCCC(C(C)NC(C)Cc2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-4-12-21-13-8-11-19(15-21)17(3)20-16(2)14-18-9-6-5-7-10-18/h5-7,9-10,16-17,19-20H,4,8,11-15H2,1-3H3
InChIKeyJWYRVPJKQOGHBT-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.72
Rot. Bonds7

About 1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine

1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine (PubChem CID 63011582) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine
PubChem CID63011582
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine
SMILESCCCN1CCCC(C(C)NC(C)Cc2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-4-12-21-13-8-11-19(15-21)17(3)20-16(2)14-18-9-6-5-7-10-18/h5-7,9-10,16-17,19-20H,4,8,11-15H2,1-3H3
InChIKeyJWYRVPJKQOGHBT-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine
CID 43692967
3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308725
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81375624
N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 60928302
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81381973
[3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol
CID 43714988
1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine
CID 81351660
2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol
CID 63261055
4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308678
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685359
2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308056
N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
CID 43307389

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine?
The IUPAC name of 1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine (CID 63011582) is 1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine is CCCN1CCCC(C(C)NC(C)Cc2ccccc2)C1.
What is the InChIKey of 1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine?
The InChIKey is JWYRVPJKQOGHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-12-21-13-8-11-19(15-21)17(3)20-16(2)14-18-9-6-5-7-10-18/h5-7,9-10,16-17,19-20H,4,8,11-15H2,1-3H3.
What are the key properties of 1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine?
1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 63011582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).