N,N-dimethyl-3-piperazin-1-ylpropan-1-amine

C9H21N3 — CID 2736234

IUPACN,N-dimethyl-3-piperazin-1-ylpropan-1-amine
SMILESCN(C)CCCN1CCNCC1
InChIInChI=1S/C9H21N3/c1-11(2)6-3-7-12-8-4-10-5-9-12/h10H,3-9H2,1-2H3
InChIKeyYJRGRZJKGMBHIB-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.16
Rot. Bonds4

About N,N-dimethyl-3-piperazin-1-ylpropan-1-amine

N,N-dimethyl-3-piperazin-1-ylpropan-1-amine (PubChem CID 2736234) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N,N-dimethyl-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-piperazin-1-ylpropan-1-amine
PubChem CID2736234
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN,N-dimethyl-3-piperazin-1-ylpropan-1-amine
SMILESCN(C)CCCN1CCNCC1
InChIInChI=1S/C9H21N3/c1-11(2)6-3-7-12-8-4-10-5-9-12/h10H,3-9H2,1-2H3
InChIKeyYJRGRZJKGMBHIB-UHFFFAOYSA-N
XLogP-0.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Bis(3-aminopropyl)piperazine
CID 81629
1-Isopropylpiperazine
CID 78013
1-(2-(Dimethylamino)ethyl)piperazine
CID 2736229
1-(3-Aminopropyl)-4-methylpiperazine
CID 78328
1-(2-Methylpropyl)piperazine
CID 2052052
1-Pentylpiperazine
CID 2737112
2,3,5,6-Tetramethylpiperazine
CID 521970
N-(2-(1-Piperazinyl)ethyl)ethylenediamine
CID 90347
Dimethylpiperazine
CID 198037
1-Butylpiperazine
CID 424322
1-Hexylpiperazine
CID 2736513
N-Propylpiperazinium dibromide
CID 3085288

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-piperazin-1-ylpropan-1-amine (CID 2736234) is N,N-dimethyl-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-piperazin-1-ylpropan-1-amine is CN(C)CCCN1CCNCC1.
What is the InChIKey of N,N-dimethyl-3-piperazin-1-ylpropan-1-amine?
The InChIKey is YJRGRZJKGMBHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-11(2)6-3-7-12-8-4-10-5-9-12/h10H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-3-piperazin-1-ylpropan-1-amine?
N,N-dimethyl-3-piperazin-1-ylpropan-1-amine has a molecular weight of 171.29 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 2736234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).