N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine

C14H30N4 — CID 115239598

IUPACN,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine
SMILESCN1CCCC(N(C)CCC2CNCCN2C)C1
InChIInChI=1S/C14H30N4/c1-16-8-4-5-14(12-16)17(2)9-6-13-11-15-7-10-18(13)3/h13-15H,4-12H2,1-3H3
InChIKeyGBYXOCLMYPJXJP-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.31
Rot. Bonds4

About N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine

N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine (PubChem CID 115239598) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine
PubChem CID115239598
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC NameN,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine
SMILESCN1CCCC(N(C)CCC2CNCCN2C)C1
InChIInChI=1S/C14H30N4/c1-16-8-4-5-14(12-16)17(2)9-6-13-11-15-7-10-18(13)3/h13-15H,4-12H2,1-3H3
InChIKeyGBYXOCLMYPJXJP-UHFFFAOYSA-N
XLogP0.31
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine
CID 115238510
N,1-dimethyl-N-(piperidin-4-ylmethyl)piperidin-3-amine
CID 62546416
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine
CID 115239639
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
N,2-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]propan-1-amine
CID 115239559
2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]cyclopentan-1-one
CID 79569765
N-hexyl-N,1-dimethylpiperidin-3-amine
CID 71906386
N-[2-(4-aminopiperidin-1-yl)ethyl]-N,1-dimethylpiperidin-3-amine
CID 79327766
9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol
CID 105343956
N-(azetidin-3-yl)-N,1-dimethylpiperidin-3-amine
CID 62785558
N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine
CID 116679267

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine?
The IUPAC name of N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine (CID 115239598) is N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine.
What is the SMILES notation for N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine?
The canonical SMILES for N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine is CN1CCCC(N(C)CCC2CNCCN2C)C1.
What is the InChIKey of N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine?
The InChIKey is GBYXOCLMYPJXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-16-8-4-5-14(12-16)17(2)9-6-13-11-15-7-10-18(13)3/h13-15H,4-12H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine?
N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine has a molecular weight of 254.42 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine is sourced from PubChem (CID 115239598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).