N-methyl-4-piperazin-1-ylheptan-1-amine

C12H27N3 — CID 143122389

IUPACN-methyl-4-piperazin-1-ylheptan-1-amine
SMILESCCCC(CCCNC)N1CCNCC1
InChIInChI=1S/C12H27N3/c1-3-5-12(6-4-7-13-2)15-10-8-14-9-11-15/h12-14H,3-11H2,1-2H3
InChIKeyAIVUOXLVYZXRDW-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.06
Rot. Bonds7

About N-methyl-4-piperazin-1-ylheptan-1-amine

N-methyl-4-piperazin-1-ylheptan-1-amine (PubChem CID 143122389) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-methyl-4-piperazin-1-ylheptan-1-amine.

Molecular Properties

Compound NameN-methyl-4-piperazin-1-ylheptan-1-amine
PubChem CID143122389
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-methyl-4-piperazin-1-ylheptan-1-amine
SMILESCCCC(CCCNC)N1CCNCC1
InChIInChI=1S/C12H27N3/c1-3-5-12(6-4-7-13-2)15-10-8-14-9-11-15/h12-14H,3-11H2,1-2H3
InChIKeyAIVUOXLVYZXRDW-UHFFFAOYSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-hexan-3-yl]piperazine
CID 94350939
1-(1-heptan-4-ylazetidin-3-yl)piperazine
CID 66203956
7-octan-4-yl-1,7-diazaspiro[3.5]nonane
CID 134177848
1-oct-1-en-4-ylpiperazine
CID 66656053
1-[(4R)-octan-4-yl]azetidine
CID 170061956
1-octadecan-4-ylaziridine
CID 87223215
2-(1,4-diazepan-1-yl)hexan-1-ol
CID 61352767
1-octan-4-ylazonane
CID 123427772
methane;1-octan-4-ylpiperidine
CID 143122058
4-methyl-N-(3-piperazin-1-ylbutyl)pentan-1-amine
CID 115255515
1-(1-phenylhexan-2-yl)piperazine
CID 67652874
N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine
CID 106019244

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-piperazin-1-ylheptan-1-amine?
The IUPAC name of N-methyl-4-piperazin-1-ylheptan-1-amine (CID 143122389) is N-methyl-4-piperazin-1-ylheptan-1-amine.
What is the SMILES notation for N-methyl-4-piperazin-1-ylheptan-1-amine?
The canonical SMILES for N-methyl-4-piperazin-1-ylheptan-1-amine is CCCC(CCCNC)N1CCNCC1.
What is the InChIKey of N-methyl-4-piperazin-1-ylheptan-1-amine?
The InChIKey is AIVUOXLVYZXRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-3-5-12(6-4-7-13-2)15-10-8-14-9-11-15/h12-14H,3-11H2,1-2H3.
What are the key properties of N-methyl-4-piperazin-1-ylheptan-1-amine?
N-methyl-4-piperazin-1-ylheptan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-piperazin-1-ylheptan-1-amine is sourced from PubChem (CID 143122389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).