N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine

C17H26N2O — CID 83996532

IUPACN-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
SMILESCOc1cccc(N2CC(C)CC(NCC3CC3)C2)c1
InChIInChI=1S/C17H26N2O/c1-13-8-15(18-10-14-6-7-14)12-19(11-13)16-4-3-5-17(9-16)20-2/h3-5,9,13-15,18H,6-8,10-12H2,1-2H3
InChIKeySFVNGQIKPLIKMJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.91
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine

N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine (PubChem CID 83996532) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
PubChem CID83996532
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
SMILESCOc1cccc(N2CC(C)CC(NCC3CC3)C2)c1
InChIInChI=1S/C17H26N2O/c1-13-8-15(18-10-14-6-7-14)12-19(11-13)16-4-3-5-17(9-16)20-2/h3-5,9,13-15,18H,6-8,10-12H2,1-2H3
InChIKeySFVNGQIKPLIKMJ-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83998607
N-ethyl-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83990440
N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83993074
N-(cyclopentylmethyl)-1-(3-fluorophenyl)-5-methylpiperidin-3-amine
CID 83997928
N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
CID 83997890
N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997239
N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine
CID 83997250
N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine
CID 83996237
3-(3-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptane
CID 84778504
N-(cyclopentylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83997929
N-cyclopropyl-5-methyl-1-(3-methylphenyl)piperidin-3-amine
CID 83991728
2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004204

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine (CID 83996532) is N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine is COc1cccc(N2CC(C)CC(NCC3CC3)C2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine?
The InChIKey is SFVNGQIKPLIKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-8-15(18-10-14-6-7-14)12-19(11-13)16-4-3-5-17(9-16)20-2/h3-5,9,13-15,18H,6-8,10-12H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine?
N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 83996532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).