1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine

C14H30N4 — CID 115255442

IUPAC1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine
SMILESCC(CCNC1CCN(C)CC1)N1CCNCC1
InChIInChI=1S/C14H30N4/c1-13(18-11-7-15-8-12-18)3-6-16-14-4-9-17(2)10-5-14/h13-16H,3-12H2,1-2H3
InChIKeyCJSCMUXNKPOZRV-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.35
Rot. Bonds5

About 1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine

1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine (PubChem CID 115255442) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine
PubChem CID115255442
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine
SMILESCC(CCNC1CCN(C)CC1)N1CCNCC1
InChIInChI=1S/C14H30N4/c1-13(18-11-7-15-8-12-18)3-6-16-14-4-9-17(2)10-5-14/h13-16H,3-12H2,1-2H3
InChIKeyCJSCMUXNKPOZRV-UHFFFAOYSA-N
XLogP0.35
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine
CID 115230482
N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 115255719
1-methyl-N-(4-methylpentyl)piperidin-4-amine
CID 61043783
N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
CID 60693743
N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine
CID 115255475
N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 79183577
5-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 107270322
N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide
CID 43373704
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
1-(5-methylhexan-2-yl)-N-propylpiperidin-4-amine
CID 63925487
4-methyl-N-(3-piperazin-1-ylbutyl)pentan-1-amine
CID 115255515
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255793

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine (CID 115255442) is 1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine is CC(CCNC1CCN(C)CC1)N1CCNCC1.
What is the InChIKey of 1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine?
The InChIKey is CJSCMUXNKPOZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-13(18-11-7-15-8-12-18)3-6-16-14-4-9-17(2)10-5-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine?
1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine has a molecular weight of 254.42 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine is sourced from PubChem (CID 115255442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).