N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine

C17H29N3 — CID 63321929

IUPACN'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine
SMILESCN1CCC(N(C)CCCC(N)c2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-19-13-10-16(11-14-19)20(2)12-6-9-17(18)15-7-4-3-5-8-15/h3-5,7-8,16-17H,6,9-14,18H2,1-2H3
InChIKeyDVQTUAMZLLJQNS-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.49
Rot. Bonds6

About N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine

N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine (PubChem CID 63321929) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine
PubChem CID63321929
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine
SMILESCN1CCC(N(C)CCCC(N)c2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-19-13-10-16(11-14-19)20(2)12-6-9-17(18)15-7-4-3-5-8-15/h3-5,7-8,16-17H,6,9-14,18H2,1-2H3
InChIKeyDVQTUAMZLLJQNS-UHFFFAOYSA-N
XLogP2.49
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine
CID 30113844
1-(4-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62644970
N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 63321985
N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine
CID 63656962
N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine
CID 63322236
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine
CID 63859842
1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine
CID 63321943
N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine
CID 63321844
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
(2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 165445053
1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16786319
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-phenylacetamide
CID 60953001

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine (CID 63321929) is N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine is CN1CCC(N(C)CCCC(N)c2ccccc2)CC1.
What is the InChIKey of N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine?
The InChIKey is DVQTUAMZLLJQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-19-13-10-16(11-14-19)20(2)12-6-9-17(18)15-7-4-3-5-8-15/h3-5,7-8,16-17H,6,9-14,18H2,1-2H3.
What are the key properties of N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine?
N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine is sourced from PubChem (CID 63321929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).