[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone

C13H18N2O — CID 7131263

IUPAC[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
SMILESNCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H18N2O/c14-10-11-4-6-12(7-5-11)13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10,14H2
InChIKeyPTAQOEKCDLOHFQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.77
Rot. Bonds2

About [4-(aminomethyl)phenyl]-piperidin-1-ylmethanone

[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone (PubChem CID 7131263) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
PubChem CID7131263
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
SMILESNCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H18N2O/c14-10-11-4-6-12(7-5-11)13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10,14H2
InChIKeyPTAQOEKCDLOHFQ-UHFFFAOYSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833975
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
CID 61157537
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
[4-(aminomethyl)phenyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107403497
[4-(aminomethyl)phenyl]-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 119302772
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 119335964
[4-(aminomethyl)phenyl]-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119282247
[4-(aminomethyl)phenyl]-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 119282152
1-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-3-cyclohexylurea
CID 119304281

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(aminomethyl)phenyl]-piperidin-1-ylmethanone (CID 7131263) is [4-(aminomethyl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-piperidin-1-ylmethanone is NCc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is PTAQOEKCDLOHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-10-11-4-6-12(7-5-11)13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10,14H2.
What are the key properties of [4-(aminomethyl)phenyl]-piperidin-1-ylmethanone?
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 218.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 7131263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).