1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride

C14H23ClN4 — CID 120968330

IUPAC1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
SMILESCl.c1cc(CN2CCC(N3CCNCC3)C2)ccn1
InChIInChI=1S/C14H22N4.ClH/c1-4-15-5-2-13(1)11-17-8-3-14(12-17)18-9-6-16-7-10-18;/h1-2,4-5,14,16H,3,6-12H2;1H
InChIKeyPSZPDDGQOJBYIB-UHFFFAOYSA-N
MW282.82 g/mol
LogP0.98
Rot. Bonds3

About 1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride

1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride (PubChem CID 120968330) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
PubChem CID120968330
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
SMILESCl.c1cc(CN2CCC(N3CCNCC3)C2)ccn1
InChIInChI=1S/C14H22N4.ClH/c1-4-15-5-2-13(1)11-17-8-3-14(12-17)18-9-6-16-7-10-18;/h1-2,4-5,14,16H,3,6-12H2;1H
InChIKeyPSZPDDGQOJBYIB-UHFFFAOYSA-N
XLogP0.98
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120968049
2-(pyridin-4-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79006299
2-(pyridin-4-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79006212
1-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968141
1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967671
1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968227
N,N-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrimidin-2-amine
CID 120968118
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968218
(3aR,7aS)-5-(pyridin-4-ylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 125118012
1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967885
1-[1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967766
1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968069

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride?
The IUPAC name of 1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride (CID 120968330) is 1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride.
What is the SMILES notation for 1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride?
The canonical SMILES for 1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride is Cl.c1cc(CN2CCC(N3CCNCC3)C2)ccn1.
What is the InChIKey of 1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride?
The InChIKey is PSZPDDGQOJBYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4.ClH/c1-4-15-5-2-13(1)11-17-8-3-14(12-17)18-9-6-16-7-10-18;/h1-2,4-5,14,16H,3,6-12H2;1H.
What are the key properties of 1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride?
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride has a molecular weight of 282.82 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride is sourced from PubChem (CID 120968330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).