1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine

C16H27N3 — CID 54986245

IUPAC1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H27N3/c1-18(2)12-16-7-9-19(10-8-16)13-15-5-3-14(11-17)4-6-15/h3-6,16H,7-13,17H2,1-2H3
InChIKeyVOCQWNNOMYGOCV-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.92
Rot. Bonds5

About 1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 54986245) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID54986245
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C16H27N3/c1-18(2)12-16-7-9-19(10-8-16)13-15-5-3-14(11-17)4-6-15/h3-6,16H,7-13,17H2,1-2H3
InChIKeyVOCQWNNOMYGOCV-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-[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345835
1-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 106906163
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986177
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76910073
1-[1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 62893815
1-[1-[(6-hydrazinyl-2-pyridinyl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 79243735
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-2-fluoroaniline
CID 107347330
1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63166878
2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid
CID 54302774
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 54986069
1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 55073697

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine (CID 54986245) is 1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(Cc2ccc(CN)cc2)CC1.
What is the InChIKey of 1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is VOCQWNNOMYGOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-18(2)12-16-7-9-19(10-8-16)13-15-5-3-14(11-17)4-6-15/h3-6,16H,7-13,17H2,1-2H3.
What are the key properties of 1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine 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 1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 54986245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).