N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine

C17H28N2O — CID 62581473

IUPACN-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
SMILESCOc1cccc(CN2CCCCC2CNC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-14(2)18-12-16-8-4-5-10-19(16)13-15-7-6-9-17(11-15)20-3/h6-7,9,11,14,16,18H,4-5,8,10,12-13H2,1-3H3
InChIKeyMAIKWLZHRAPIAQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds6

About N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine

N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine (PubChem CID 62581473) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
PubChem CID62581473
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
SMILESCOc1cccc(CN2CCCCC2CNC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-14(2)18-12-16-8-4-5-10-19(16)13-15-7-6-9-17(11-15)20-3/h6-7,9,11,14,16,18H,4-5,8,10,12-13H2,1-3H3
InChIKeyMAIKWLZHRAPIAQ-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
N-[[1-[(3-nitrophenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 63847849
methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 62028081
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine
CID 63249708
(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 95342192
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928485
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62579495
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581436
2-fluoro-5-[[2-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]benzonitrile
CID 107887854

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine (CID 62581473) is N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine is COc1cccc(CN2CCCCC2CNC(C)C)c1.
What is the InChIKey of N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is MAIKWLZHRAPIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)18-12-16-8-4-5-10-19(16)13-15-7-6-9-17(11-15)20-3/h6-7,9,11,14,16,18H,4-5,8,10,12-13H2,1-3H3.
What are the key properties of N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine?
N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62581473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).