1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine

C14H20ClN3 — CID 61445466

IUPAC1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine
SMILESClCc1ccnc(N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C14H20ClN3/c15-10-13-3-4-16-14(9-13)18-7-5-17(6-8-18)11-12-1-2-12/h3-4,9,12H,1-2,5-8,10-11H2
InChIKeyVSQRGUGOKWWZBD-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.35
Rot. Bonds4

About 1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine

1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine (PubChem CID 61445466) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine.

Molecular Properties

Compound Name1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine
PubChem CID61445466
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine
SMILESClCc1ccnc(N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C14H20ClN3/c15-10-13-3-4-16-14(9-13)18-7-5-17(6-8-18)11-12-1-2-12/h3-4,9,12H,1-2,5-8,10-11H2
InChIKeyVSQRGUGOKWWZBD-UHFFFAOYSA-N
XLogP2.35
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61257242
2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine
CID 62091611
3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370754
(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
CID 104959964
4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 102965947
[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol
CID 114920295
4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55793525
1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130429
6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridin-3-ol
CID 171356053
N-[[2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 62279976
4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine
CID 106767336
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 86898946

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine?
The IUPAC name of 1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine (CID 61445466) is 1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine.
What is the SMILES notation for 1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine?
The canonical SMILES for 1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine is ClCc1ccnc(N2CCN(CC3CC3)CC2)c1.
What is the InChIKey of 1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine?
The InChIKey is VSQRGUGOKWWZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c15-10-13-3-4-16-14(9-13)18-7-5-17(6-8-18)11-12-1-2-12/h3-4,9,12H,1-2,5-8,10-11H2.
What are the key properties of 1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine?
1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine has a molecular weight of 265.79 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine is sourced from PubChem (CID 61445466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).