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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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).