N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine

C16H26N2O — CID 43373123

IUPACN-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCOC1CCN(c2ccccc2CNC(C)C)CC1
InChIInChI=1S/C16H26N2O/c1-13(2)17-12-14-6-4-5-7-16(14)18-10-8-15(19-3)9-11-18/h4-7,13,15,17H,8-12H2,1-3H3
InChIKeyBIJWCOVQSPKTAV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.80
Rot. Bonds5

About N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine

N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 43373123) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID43373123
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCOC1CCN(c2ccccc2CNC(C)C)CC1
InChIInChI=1S/C16H26N2O/c1-13(2)17-12-14-6-4-5-7-16(14)18-10-8-15(19-3)9-11-18/h4-7,13,15,17H,8-12H2,1-3H3
InChIKeyBIJWCOVQSPKTAV-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-amine
CID 43586297
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]methyl]propan-2-amine
CID 43620593
N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine
CID 66394076
N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine
CID 62205562
1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 62405544
N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 62331056
1-(2-fluorophenyl)-4-methoxypiperidine
CID 15403847
N-[[3,5-difluoro-4-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 63052451
1-[2-(bromomethyl)phenyl]-3-methoxypiperidine
CID 107085484
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499393

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine (CID 43373123) is N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine is COC1CCN(c2ccccc2CNC(C)C)CC1.
What is the InChIKey of N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is BIJWCOVQSPKTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)17-12-14-6-4-5-7-16(14)18-10-8-15(19-3)9-11-18/h4-7,13,15,17H,8-12H2,1-3H3.
What are the key properties of N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine?
N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43373123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).