N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine

C22H38N4 — CID 24896833

IUPACN-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NCc1ccc(CNN2C(C)CCCC2C)cc1
InChIInChI=1S/C22H38N4/c1-17-7-5-8-18(2)25(17)23-15-21-11-13-22(14-12-21)16-24-26-19(3)9-6-10-20(26)4/h11-14,17-20,23-24H,5-10,15-16H2,1-4H3
InChIKeyWIDWADIIMZVOJA-UHFFFAOYSA-N
MW358.57 g/mol
LogP4.22
Rot. Bonds6

About N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine

N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 24896833) has the molecular formula C22H38N4 and a molecular weight of 358.57 g/mol. Its IUPAC name is N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine
PubChem CID24896833
Molecular FormulaC22H38N4
Molecular Weight358.57 g/mol
Exact Mass358.31
IUPAC NameN-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NCc1ccc(CNN2C(C)CCCC2C)cc1
InChIInChI=1S/C22H38N4/c1-17-7-5-8-18(2)25(17)23-15-21-11-13-22(14-12-21)16-24-26-19(3)9-6-10-20(26)4/h11-14,17-20,23-24H,5-10,15-16H2,1-4H3
InChIKeyWIDWADIIMZVOJA-UHFFFAOYSA-N
XLogP4.22
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine
CID 83006812
2,6-dimethyl-N-(pyrimidin-5-ylmethyl)piperidin-1-amine
CID 83006721
2-chloro-4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenol
CID 83006911
2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine
CID 24900055
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine
CID 83009539
4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2,6-dimethoxyphenol
CID 83009315
methyl 4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-2-fluorobenzoate
CID 106700337
2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83009169
N-[(2,4-dimethylphenyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83006518
N-[(3-aminothiophen-2-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83009439
2,6-dimethyl-N-[(3-propoxyphenyl)methyl]piperidin-1-amine
CID 83006521
N-[(2-bromo-4-methylphenyl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83010449

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine (CID 24896833) is N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine is CC1CCCC(C)N1NCc1ccc(CNN2C(C)CCCC2C)cc1.
What is the InChIKey of N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is WIDWADIIMZVOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4/c1-17-7-5-8-18(2)25(17)23-15-21-11-13-22(14-12-21)16-24-26-19(3)9-6-10-20(26)4/h11-14,17-20,23-24H,5-10,15-16H2,1-4H3.
What are the key properties of N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine?
N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 358.57 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]phenyl]methyl]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 24896833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).