N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine

C18H30N2O — CID 63853661

IUPACN-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCCN1Cc1ccc(OC)cc1
InChIInChI=1S/C18H30N2O/c1-4-12-19-15(2)18-7-5-6-13-20(18)14-16-8-10-17(21-3)11-9-16/h8-11,15,18-19H,4-7,12-14H2,1-3H3
InChIKeyIIBKDJUSMZMZOF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds7

About N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine

N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine (PubChem CID 63853661) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
PubChem CID63853661
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCCN1Cc1ccc(OC)cc1
InChIInChI=1S/C18H30N2O/c1-4-12-19-15(2)18-7-5-6-13-20(18)14-16-8-10-17(21-3)11-9-16/h8-11,15,18-19H,4-7,12-14H2,1-3H3
InChIKeyIIBKDJUSMZMZOF-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63854876
N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63852769
N-[1-[1-(cyclopentylmethyl)piperidin-2-yl]ethyl]propan-1-amine
CID 63854878
N-[1-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 82865657
N-ethyl-1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 63855213
methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate
CID 52942312
N-[1-[1-(2-methylbutyl)piperidin-2-yl]ethyl]propan-1-amine
CID 55256667
N-[1-[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]ethyl]propan-1-amine
CID 63855261
N-[1-(1-hexylpiperidin-2-yl)ethyl]propan-1-amine
CID 63853121
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol
CID 63853660
1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine
CID 102449955

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine (CID 63853661) is N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCCN1Cc1ccc(OC)cc1.
What is the InChIKey of N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine?
The InChIKey is IIBKDJUSMZMZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-12-19-15(2)18-7-5-6-13-20(18)14-16-8-10-17(21-3)11-9-16/h8-11,15,18-19H,4-7,12-14H2,1-3H3.
What are the key properties of N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine?
N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63853661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).