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

C16H26N2O — CID 83982840

IUPAC3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine
SMILESCOc1ccc(CN2CCCC(CCCN)C2)cc1
InChIInChI=1S/C16H26N2O/c1-19-16-8-6-15(7-9-16)13-18-11-3-5-14(12-18)4-2-10-17/h6-9,14H,2-5,10-13,17H2,1H3
InChIKeyLYUPFYYIFGGFLF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.65
Rot. Bonds6

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

3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine (PubChem CID 83982840) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine
PubChem CID83982840
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine
SMILESCOc1ccc(CN2CCCC(CCCN)C2)cc1
InChIInChI=1S/C16H26N2O/c1-19-16-8-6-15(7-9-16)13-18-11-3-5-14(12-18)4-2-10-17/h6-9,14H,2-5,10-13,17H2,1H3
InChIKeyLYUPFYYIFGGFLF-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 83982822
N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580078
1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-one
CID 28767056
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728671
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine?
The IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine (CID 83982840) is 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine is COc1ccc(CN2CCCC(CCCN)C2)cc1.
What is the InChIKey of 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine?
The InChIKey is LYUPFYYIFGGFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-19-16-8-6-15(7-9-16)13-18-11-3-5-14(12-18)4-2-10-17/h6-9,14H,2-5,10-13,17H2,1H3.
What are the key properties of 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine?
3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.65, 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-3-yl]propan-1-amine is sourced from PubChem (CID 83982840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).