1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine

C16H25N3 — CID 178176822

IUPAC1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine
SMILESCc1cc(N2CCN(C3CC3)CC2)cnc1C(C)C
InChIInChI=1S/C16H25N3/c1-12(2)16-13(3)10-15(11-17-16)19-8-6-18(7-9-19)14-4-5-14/h10-12,14H,4-9H2,1-3H3
InChIKeyJFQWBCVVHOJTLM-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.80
Rot. Bonds3

About 1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine

1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine (PubChem CID 178176822) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine
PubChem CID178176822
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine
SMILESCc1cc(N2CCN(C3CC3)CC2)cnc1C(C)C
InChIInChI=1S/C16H25N3/c1-12(2)16-13(3)10-15(11-17-16)19-8-6-18(7-9-19)14-4-5-14/h10-12,14H,4-9H2,1-3H3
InChIKeyJFQWBCVVHOJTLM-UHFFFAOYSA-N
XLogP2.80
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine?
The IUPAC name of 1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine (CID 178176822) is 1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine.
What is the SMILES notation for 1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine?
The canonical SMILES for 1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine is Cc1cc(N2CCN(C3CC3)CC2)cnc1C(C)C.
What is the InChIKey of 1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine?
The InChIKey is JFQWBCVVHOJTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12(2)16-13(3)10-15(11-17-16)19-8-6-18(7-9-19)14-4-5-14/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine?
1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine has a molecular weight of 259.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(5-methyl-6-propan-2-yl-3-pyridinyl)piperazine is sourced from PubChem (CID 178176822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).