[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone

C15H23N3O — CID 53489592

IUPAC[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(CN)CC2)c1
InChIInChI=1S/C15H23N3O/c1-17(2)14-5-3-4-13(10-14)15(19)18-8-6-12(11-16)7-9-18/h3-5,10,12H,6-9,11,16H2,1-2H3
InChIKeyHTJMCMNWRIHCNO-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.56
Rot. Bonds3

About [4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone

[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone (PubChem CID 53489592) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
PubChem CID53489592
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(CN)CC2)c1
InChIInChI=1S/C15H23N3O/c1-17(2)14-5-3-4-13(10-14)15(19)18-8-6-12(11-16)7-9-18/h3-5,10,12H,6-9,11,16H2,1-2H3
InChIKeyHTJMCMNWRIHCNO-UHFFFAOYSA-N
XLogP1.56
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585104
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
methyl 3-[4-(aminomethyl)piperidine-1-carbonyl]benzoate
CID 176515172
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63767839
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
[3-(aminomethyl)-2-oxa-9-azaspiro[5.5]undecan-9-yl]-[3-(dimethylamino)phenyl]methanone
CID 131640802
[4-(1-aminopropan-2-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63337833
[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110744037
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide
CID 110821528
[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590000
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121022719

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone (CID 53489592) is [4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone is CN(C)c1cccc(C(=O)N2CCC(CN)CC2)c1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The InChIKey is HTJMCMNWRIHCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17(2)14-5-3-4-13(10-14)15(19)18-8-6-12(11-16)7-9-18/h3-5,10,12H,6-9,11,16H2,1-2H3.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone has a molecular weight of 261.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 53489592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).