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

C18H30N2 — CID 63852769

IUPACN-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCCN1Cc1ccccc1C
InChIInChI=1S/C18H30N2/c1-4-12-19-16(3)18-11-7-8-13-20(18)14-17-10-6-5-9-15(17)2/h5-6,9-10,16,18-19H,4,7-8,11-14H2,1-3H3
InChIKeyVVPHLDIJLTWJPL-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.74
Rot. Bonds6

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

N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine (PubChem CID 63852769) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
PubChem CID63852769
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCCN1Cc1ccccc1C
InChIInChI=1S/C18H30N2/c1-4-12-19-16(3)18-11-7-8-13-20(18)14-17-10-6-5-9-15(17)2/h5-6,9-10,16,18-19H,4,7-8,11-14H2,1-3H3
InChIKeyVVPHLDIJLTWJPL-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63853661
N-[1-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 82865657
N-[1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 55256480
N-[1-[1-(cyclopentylmethyl)piperidin-2-yl]ethyl]propan-1-amine
CID 63854878
N-[1-[1-(2-methylbutyl)piperidin-2-yl]ethyl]propan-1-amine
CID 55256667
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580367
1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol
CID 63853660
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone
CID 63846016
1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911372
N-[1-[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]ethyl]propan-1-amine
CID 63855102

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine (CID 63852769) is N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCCN1Cc1ccccc1C.
What is the InChIKey of N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine?
The InChIKey is VVPHLDIJLTWJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-12-19-16(3)18-11-7-8-13-20(18)14-17-10-6-5-9-15(17)2/h5-6,9-10,16,18-19H,4,7-8,11-14H2,1-3H3.
What are the key properties of N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine?
N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63852769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).