1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine

C17H28N2O — CID 62155983

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2cc(C)ccc2OC)CC1
InChIInChI=1S/C17H28N2O/c1-4-9-18-16-7-10-19(11-8-16)13-15-12-14(2)5-6-17(15)20-3/h5-6,12,16,18H,4,7-11,13H2,1-3H3
InChIKeyPWYAYHLGSRMWSK-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.97
Rot. Bonds6

About 1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine

1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine (PubChem CID 62155983) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine
PubChem CID62155983
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2cc(C)ccc2OC)CC1
InChIInChI=1S/C17H28N2O/c1-4-9-18-16-7-10-19(11-8-16)13-15-12-14(2)5-6-17(15)20-3/h5-6,12,16,18H,4,7-11,13H2,1-3H3
InChIKeyPWYAYHLGSRMWSK-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 81494883
1-(2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine
CID 43315083
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920705
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
1-[(2-fluoro-4-methoxyphenyl)methyl]-N-propylpiperidin-4-amine
CID 102875898
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 81494890
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide
CID 77039199
1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 43555074
2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 63904119

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine (CID 62155983) is 1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine is CCCNC1CCN(Cc2cc(C)ccc2OC)CC1.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine?
The InChIKey is PWYAYHLGSRMWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-9-18-16-7-10-19(11-8-16)13-15-12-14(2)5-6-17(15)20-3/h5-6,12,16,18H,4,7-11,13H2,1-3H3.
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine?
1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 62155983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).