1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine

C20H34N2O2 — CID 119127138

IUPAC1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine
SMILESCCCCN1CCC(NCc2ccc(OC(C)C)c(OC)c2)CC1
InChIInChI=1S/C20H34N2O2/c1-5-6-11-22-12-9-18(10-13-22)21-15-17-7-8-19(24-16(2)3)20(14-17)23-4/h7-8,14,16,18,21H,5-6,9-13,15H2,1-4H3
InChIKeyOPKMEXQLYRUNDG-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.84
Rot. Bonds9

About 1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine

1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine (PubChem CID 119127138) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine
PubChem CID119127138
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine
SMILESCCCCN1CCC(NCc2ccc(OC(C)C)c(OC)c2)CC1
InChIInChI=1S/C20H34N2O2/c1-5-6-11-22-12-9-18(10-13-22)21-15-17-7-8-19(24-16(2)3)20(14-17)23-4/h7-8,14,16,18,21H,5-6,9-13,15H2,1-4H3
InChIKeyOPKMEXQLYRUNDG-UHFFFAOYSA-N
XLogP3.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215948
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890758
3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine
CID 103920966
1-butyl-N-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
CID 119127125
N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine
CID 81002478
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine
CID 103887921
1-(azocan-1-yl)-3-[2-methoxy-5-[[(1-propylpiperidin-4-yl)amino]methyl]phenoxy]propan-2-ol
CID 45247292
1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43400202
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
1-butyl-N-[(4-nitrophenyl)methyl]piperidin-4-amine
CID 43748215

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine (CID 119127138) is 1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine is CCCCN1CCC(NCc2ccc(OC(C)C)c(OC)c2)CC1.
What is the InChIKey of 1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
The InChIKey is OPKMEXQLYRUNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-5-6-11-22-12-9-18(10-13-22)21-15-17-7-8-19(24-16(2)3)20(14-17)23-4/h7-8,14,16,18,21H,5-6,9-13,15H2,1-4H3.
What are the key properties of 1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine has a molecular weight of 334.50 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 119127138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).