1-[(2-chloro-3-pyridinyl)methyl]piperazine

C10H14ClN3 — CID 62471076

IUPAC1-[(2-chloro-3-pyridinyl)methyl]piperazine
SMILESClc1ncccc1CN1CCNCC1
InChIInChI=1S/C10H14ClN3/c11-10-9(2-1-3-13-10)8-14-6-4-12-5-7-14/h1-3,12H,4-8H2
InChIKeyCDVWCPONTZDWKA-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.14
Rot. Bonds2

About 1-[(2-chloro-3-pyridinyl)methyl]piperazine

1-[(2-chloro-3-pyridinyl)methyl]piperazine (PubChem CID 62471076) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)methyl]piperazine
PubChem CID62471076
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name1-[(2-chloro-3-pyridinyl)methyl]piperazine
SMILESClc1ncccc1CN1CCNCC1
InChIInChI=1S/C10H14ClN3/c11-10-9(2-1-3-13-10)8-14-6-4-12-5-7-14/h1-3,12H,4-8H2
InChIKeyCDVWCPONTZDWKA-UHFFFAOYSA-N
XLogP1.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-3-pyridinyl)methyl]-1,4-diazepane
CID 62471077
4-[(2-chloro-3-pyridinyl)methyl]piperazin-2-one
CID 60617185
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
1-tert-butyl-4-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471632
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 106668639
1-[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63103864
1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine
CID 138472326
2-chloro-3-(piperazin-1-ylmethyl)pyrazine
CID 71640616
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
1-[(2-chloro-3-pyridinyl)methyl]piperazine-2-carbonitrile
CID 79084941
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 62916132

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl]piperazine (CID 62471076) is 1-[(2-chloro-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)methyl]piperazine is Clc1ncccc1CN1CCNCC1.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)methyl]piperazine?
The InChIKey is CDVWCPONTZDWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c11-10-9(2-1-3-13-10)8-14-6-4-12-5-7-14/h1-3,12H,4-8H2.
What are the key properties of 1-[(2-chloro-3-pyridinyl)methyl]piperazine?
1-[(2-chloro-3-pyridinyl)methyl]piperazine has a molecular weight of 211.70 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 62471076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).