[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone

C16H24N2O — CID 98523636

IUPAC[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC([C@@H](C)N)CC2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11-4-5-15(12(2)10-11)16(19)18-8-6-14(7-9-18)13(3)17/h4-5,10,13-14H,6-9,17H2,1-3H3/t13-/m1/s1
InChIKeyNZHWHEMGFDFGFL-CYBMUJFWSA-N
MW260.38 g/mol
LogP2.50
Rot. Bonds2

About [4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone

[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone (PubChem CID 98523636) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
PubChem CID98523636
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC([C@@H](C)N)CC2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11-4-5-15(12(2)10-11)16(19)18-8-6-14(7-9-18)13(3)17/h4-5,10,13-14H,6-9,17H2,1-3H3/t13-/m1/s1
InChIKeyNZHWHEMGFDFGFL-CYBMUJFWSA-N
XLogP2.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107672038
[4-(1-chloroethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 106838914
[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2-methylphenyl)methanone;hydrochloride
CID 119518483
[4-(1-aminoethyl)piperidin-1-yl]-(2-iodo-5-methylphenyl)methanone
CID 119518219
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
[4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107673269
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345026
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106502596
1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 84546564
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone?
The IUPAC name of [4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone (CID 98523636) is [4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for [4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone?
The canonical SMILES for [4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)N2CCC([C@@H](C)N)CC2)c(C)c1.
What is the InChIKey of [4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone?
The InChIKey is NZHWHEMGFDFGFL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-4-5-15(12(2)10-11)16(19)18-8-6-14(7-9-18)13(3)17/h4-5,10,13-14H,6-9,17H2,1-3H3/t13-/m1/s1.
What are the key properties of [4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone?
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 98523636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).