1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine

C18H30N2O2 — CID 119127125

IUPAC1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
SMILESCCCCN1CCC(NCc2ccc(OC)cc2OC)CC1
InChIInChI=1S/C18H30N2O2/c1-4-5-10-20-11-8-16(9-12-20)19-14-15-6-7-17(21-2)13-18(15)22-3/h6-7,13,16,19H,4-5,8-12,14H2,1-3H3
InChIKeyPNCLKPIIXRKQQX-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.06
Rot. Bonds8

About 1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine

1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine (PubChem CID 119127125) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
PubChem CID119127125
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
SMILESCCCCN1CCC(NCc2ccc(OC)cc2OC)CC1
InChIInChI=1S/C18H30N2O2/c1-4-5-10-20-11-8-16(9-12-20)19-14-15-6-7-17(21-2)13-18(15)22-3/h6-7,13,16,19H,4-5,8-12,14H2,1-3H3
InChIKeyPNCLKPIIXRKQQX-UHFFFAOYSA-N
XLogP3.06
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718169
N-[(2,4-dimethoxyphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 119107078
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63362955
1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 119127138
N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64500923
2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol
CID 54917281
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 61267827
N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890884
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718160
N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 82927332
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111387431

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine (CID 119127125) is 1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine is CCCCN1CCC(NCc2ccc(OC)cc2OC)CC1.
What is the InChIKey of 1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is PNCLKPIIXRKQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-5-10-20-11-8-16(9-12-20)19-14-15-6-7-17(21-2)13-18(15)22-3/h6-7,13,16,19H,4-5,8-12,14H2,1-3H3.
What are the key properties of 1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine?
1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 306.45 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 119127125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).