1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine

C16H26N2O — CID 80554157

IUPAC1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCCNC1)c1ccccc1OC
InChIInChI=1S/C16H26N2O/c1-3-15(14-8-4-5-9-16(14)19-2)18-12-13-7-6-10-17-11-13/h4-5,8-9,13,15,17-18H,3,6-7,10-12H2,1-2H3
InChIKeyDSBYVHPIWJPZFH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.74
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine

1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 80554157) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID80554157
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCCNC1)c1ccccc1OC
InChIInChI=1S/C16H26N2O/c1-3-15(14-8-4-5-9-16(14)19-2)18-12-13-7-6-10-17-11-13/h4-5,8-9,13,15,17-18H,3,6-7,10-12H2,1-2H3
InChIKeyDSBYVHPIWJPZFH-UHFFFAOYSA-N
XLogP2.74
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106637287
2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol
CID 64929998
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine
CID 80553252
4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline
CID 115209479
N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676916
N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 103782832
methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate
CID 80555688
2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 115793056
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine (CID 80554157) is 1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine is CCC(NCC1CCCNC1)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is DSBYVHPIWJPZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-15(14-8-4-5-9-16(14)19-2)18-12-13-7-6-10-17-11-13/h4-5,8-9,13,15,17-18H,3,6-7,10-12H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 80554157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).