4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine

C16H34N4 — CID 62547640

IUPAC4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(CN)(N(C)C2CCCN(C)C2)CC1
InChIInChI=1S/C16H34N4/c1-14(2)20-10-7-16(13-17,8-11-20)19(4)15-6-5-9-18(3)12-15/h14-15H,5-13,17H2,1-4H3
InChIKeySZEXXSRTUMMLAV-UHFFFAOYSA-N
MW282.48 g/mol
LogP1.21
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine

4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 62547640) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine
PubChem CID62547640
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(CN)(N(C)C2CCCN(C)C2)CC1
InChIInChI=1S/C16H34N4/c1-14(2)20-10-7-16(13-17,8-11-20)19(4)15-6-5-9-18(3)12-15/h14-15H,5-13,17H2,1-4H3
InChIKeySZEXXSRTUMMLAV-UHFFFAOYSA-N
XLogP1.21
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65078649
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine
CID 64755493
N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine
CID 62976020
N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine
CID 80705339
N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine
CID 64753446
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine
CID 79847644
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 107397751
N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine
CID 82733977
3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine
CID 62975279
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 65091731
4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078360

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine (CID 62547640) is 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(CN)(N(C)C2CCCN(C)C2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is SZEXXSRTUMMLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-14(2)20-10-7-16(13-17,8-11-20)19(4)15-6-5-9-18(3)12-15/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine?
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 282.48 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 62547640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).