3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine

C19H32N2O2 — CID 68687798

IUPAC3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine
SMILESCCCCC1CN(CCc2ccc(OC)c(OC)c2)CCC1N
InChIInChI=1S/C19H32N2O2/c1-4-5-6-16-14-21(12-10-17(16)20)11-9-15-7-8-18(22-2)19(13-15)23-3/h7-8,13,16-17H,4-6,9-12,14,20H2,1-3H3
InChIKeyPCXDWFDNIPQQFB-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.09
Rot. Bonds8

About 3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine

3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine (PubChem CID 68687798) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine
PubChem CID68687798
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine
SMILESCCCCC1CN(CCc2ccc(OC)c(OC)c2)CCC1N
InChIInChI=1S/C19H32N2O2/c1-4-5-6-16-14-21(12-10-17(16)20)11-9-15-7-8-18(22-2)19(13-15)23-3/h7-8,13,16-17H,4-6,9-12,14,20H2,1-3H3
InChIKeyPCXDWFDNIPQQFB-UHFFFAOYSA-N
XLogP3.09
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315157
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 95468648
1-butylsulfonyl-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 113074549
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]isoindole-1,3-dione
CID 15045352
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylate
CID 141241691
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866
[1-[2-(3,4-dimethoxyphenyl)ethyl]azetidin-3-yl] methanesulfonate
CID 54171177
(3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
CID 11645106
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-3-ylpiperidine
CID 167940329
4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine
CID 82365911
[1-[2-(3,4-dimethoxyphenyl)ethyl]aziridin-2-yl]methanamine
CID 117010060

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine (CID 68687798) is 3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine is CCCCC1CN(CCc2ccc(OC)c(OC)c2)CCC1N.
What is the InChIKey of 3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine?
The InChIKey is PCXDWFDNIPQQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-4-5-6-16-14-21(12-10-17(16)20)11-9-15-7-8-18(22-2)19(13-15)23-3/h7-8,13,16-17H,4-6,9-12,14,20H2,1-3H3.
What are the key properties of 3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine?
3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine has a molecular weight of 320.48 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 68687798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).