1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride

C12H24ClN3 — CID 120968111

IUPAC1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
SMILESC1CN(C2CCN(CC3CC3)C2)CCN1.Cl
InChIInChI=1S/C12H23N3.ClH/c1-2-11(1)9-14-6-3-12(10-14)15-7-4-13-5-8-15;/h11-13H,1-10H2;1H
InChIKeyXEWZNZCSTOXJDT-UHFFFAOYSA-N
MW245.80 g/mol
LogP0.80
Rot. Bonds3

About 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride

1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride (PubChem CID 120968111) has the molecular formula C12H24ClN3 and a molecular weight of 245.80 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
PubChem CID120968111
Molecular FormulaC12H24ClN3
Molecular Weight245.80 g/mol
Exact Mass245.17
IUPAC Name1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
SMILESC1CN(C2CCN(CC3CC3)C2)CCN1.Cl
InChIInChI=1S/C12H23N3.ClH/c1-2-11(1)9-14-6-3-12(10-14)15-7-4-13-5-8-15;/h11-13H,1-10H2;1H
InChIKeyXEWZNZCSTOXJDT-UHFFFAOYSA-N
XLogP0.80
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.80
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine
CID 170022732
1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967543
1-[[1-(1-methylpyrrolidin-3-yl)piperidin-4-yl]methyl]piperazine
CID 167091333
1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968406
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine
CID 63169674
4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
CID 61244264
1-[(3S)-1-methylpyrrolidin-3-yl]piperazine
CID 94910735
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine
CID 112739446
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride
CID 120849683
2-cyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997503

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride?
The IUPAC name of 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride (CID 120968111) is 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride?
The canonical SMILES for 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride is C1CN(C2CCN(CC3CC3)C2)CCN1.Cl.
What is the InChIKey of 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride?
The InChIKey is XEWZNZCSTOXJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.ClH/c1-2-11(1)9-14-6-3-12(10-14)15-7-4-13-5-8-15;/h11-13H,1-10H2;1H.
What are the key properties of 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride?
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride has a molecular weight of 245.80 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride is sourced from PubChem (CID 120968111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).