4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine

C18H30N2O — CID 62881276

IUPAC4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
SMILESCCCOC1CCCN(C(CN)CCc2ccccc2)C1
InChIInChI=1S/C18H30N2O/c1-2-13-21-18-9-6-12-20(15-18)17(14-19)11-10-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15,19H2,1H3
InChIKeyMTLVCZZTPUTNIF-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.84
Rot. Bonds8

About 4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine

4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine (PubChem CID 62881276) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
PubChem CID62881276
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
SMILESCCCOC1CCCN(C(CN)CCc2ccccc2)C1
InChIInChI=1S/C18H30N2O/c1-2-13-21-18-9-6-12-20(15-18)17(14-19)11-10-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15,19H2,1H3
InChIKeyMTLVCZZTPUTNIF-UHFFFAOYSA-N
XLogP2.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 62414680
(2S)-2-phenyl-2-[(3R)-3-propoxypiperidin-1-yl]acetamide
CID 94215510
2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine
CID 79414354
2-(3-ethoxypiperidin-1-yl)heptan-1-amine
CID 54985101
[2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine
CID 81322503
2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline
CID 62495233
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine
CID 106586332
3-ethoxy-1-pentan-3-ylpiperidine
CID 173298981
1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol
CID 64819801
3-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 82986062
1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine
CID 54989682
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-phenylbutan-1-amine
CID 82747118

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine?
The IUPAC name of 4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine (CID 62881276) is 4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine?
The canonical SMILES for 4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine is CCCOC1CCCN(C(CN)CCc2ccccc2)C1.
What is the InChIKey of 4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine?
The InChIKey is MTLVCZZTPUTNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-13-21-18-9-6-12-20(15-18)17(14-19)11-10-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15,19H2,1H3.
What are the key properties of 4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine?
4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 62881276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).