N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine

C14H23N3 — CID 115213157

IUPACN-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2ccc(CN)cc2)CC1
InChIInChI=1S/C14H23N3/c1-17-8-6-14(7-9-17)16-11-13-4-2-12(10-15)3-5-13/h2-5,14,16H,6-11,15H2,1H3
InChIKeyYMVZIIVZJLSDQT-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.33
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine

N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine (PubChem CID 115213157) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
PubChem CID115213157
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2ccc(CN)cc2)CC1
InChIInChI=1S/C14H23N3/c1-17-8-6-14(7-9-17)16-11-13-4-2-12(10-15)3-5-13/h2-5,14,16H,6-11,15H2,1H3
InChIKeyYMVZIIVZJLSDQT-UHFFFAOYSA-N
XLogP1.33
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one
CID 157179730
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
1-methyl-N-[(4-trimethylsilylphenyl)methyl]piperidin-4-amine
CID 103437564
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 28680147
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280922
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43216489
N-[[4-(dimethylamino)phenyl]methyl]-1-methylazepan-4-amine
CID 65071147
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
CID 43216337

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine (CID 115213157) is N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine is CN1CCC(NCc2ccc(CN)cc2)CC1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine?
The InChIKey is YMVZIIVZJLSDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17-8-6-14(7-9-17)16-11-13-4-2-12(10-15)3-5-13/h2-5,14,16H,6-11,15H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine?
N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 115213157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).