3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride

C10H25ClN4 — CID 54610574

IUPAC3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
SMILESCl.NCCCN1CCN(CCCN)CC1
InChIInChI=1S/C10H24N4.ClH/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12;/h1-12H2;1H
InChIKeyDVXPVRKKOWUNHB-UHFFFAOYSA-N
MW236.79 g/mol
LogP-0.28
Rot. Bonds6

About 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride

3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride (PubChem CID 54610574) has the molecular formula C10H25ClN4 and a molecular weight of 236.79 g/mol. Its IUPAC name is 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
PubChem CID54610574
Molecular FormulaC10H25ClN4
Molecular Weight236.79 g/mol
Exact Mass236.18
IUPAC Name3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
SMILESCl.NCCCN1CCN(CCCN)CC1
InChIInChI=1S/C10H24N4.ClH/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12;/h1-12H2;1H
InChIKeyDVXPVRKKOWUNHB-UHFFFAOYSA-N
XLogP-0.28
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 20647742
4-(3-aminopropyl)piperazine-1-carbaldehyde
CID 21054641
2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid
CID 63653557
methanol;3-(4-methylpiperazin-1-yl)propan-1-amine;molecular hydrogen;sulfane
CID 145081546
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hexanedioate
CID 21124417
ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 165403738
2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol
CID 61070861

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride?
The IUPAC name of 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride (CID 54610574) is 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride is Cl.NCCCN1CCN(CCCN)CC1.
What is the InChIKey of 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride?
The InChIKey is DVXPVRKKOWUNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4.ClH/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12;/h1-12H2;1H.
What are the key properties of 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride?
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride is sourced from PubChem (CID 54610574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).