N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine

C16H27N3 — CID 115213242

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
SMILESCN1CCCC(CN(C)Cc2ccc(CN)cc2)C1
InChIInChI=1S/C16H27N3/c1-18-9-3-4-16(12-18)13-19(2)11-15-7-5-14(10-17)6-8-15/h5-8,16H,3-4,9-13,17H2,1-2H3
InChIKeyUSWZHEUJNPGXEB-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.92
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine

N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine (PubChem CID 115213242) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
PubChem CID115213242
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
SMILESCN1CCCC(CN(C)Cc2ccc(CN)cc2)C1
InChIInChI=1S/C16H27N3/c1-18-9-3-4-16(12-18)13-19(2)11-15-7-5-14(10-17)6-8-15/h5-8,16H,3-4,9-13,17H2,1-2H3
InChIKeyUSWZHEUJNPGXEB-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55174994
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine
CID 105347684
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554158
3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 63274287
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
CID 63272706
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547305
N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine
CID 127038227
N-(methoxymethyl)-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115258790
[4-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836852

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine (CID 115213242) is N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine is CN1CCCC(CN(C)Cc2ccc(CN)cc2)C1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine?
The InChIKey is USWZHEUJNPGXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-18-9-3-4-16(12-18)13-19(2)11-15-7-5-14(10-17)6-8-15/h5-8,16H,3-4,9-13,17H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine?
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine is sourced from PubChem (CID 115213242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).