3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine

C17H28N2O — CID 83983377

IUPAC3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(CN2CCC(CC(C)CN)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-14(12-18)11-15-7-9-19(10-8-15)13-16-3-5-17(20-2)6-4-16/h3-6,14-15H,7-13,18H2,1-2H3
InChIKeyFPAYEABRSNIVDG-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.89
Rot. Bonds6

About 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine

3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine (PubChem CID 83983377) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
PubChem CID83983377
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(CN2CCC(CC(C)CN)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-14(12-18)11-15-7-9-19(10-8-15)13-16-3-5-17(20-2)6-4-16/h3-6,14-15H,7-13,18H2,1-2H3
InChIKeyFPAYEABRSNIVDG-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983238
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983268
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983298
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854479
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
(2S)-2-hydroxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489219
2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 83983395
propan-2-yl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980669
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-ol
CID 83983299

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine (CID 83983377) is 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine is COc1ccc(CN2CCC(CC(C)CN)CC2)cc1.
What is the InChIKey of 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine?
The InChIKey is FPAYEABRSNIVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(12-18)11-15-7-9-19(10-8-15)13-16-3-5-17(20-2)6-4-16/h3-6,14-15H,7-13,18H2,1-2H3.
What are the key properties of 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine?
3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 83983377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).