1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine

C18H37N3 — CID 177178708

IUPAC1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCCC(C)CCN1CCC(N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-5-17(4)6-9-19-10-7-18(8-11-19)21-14-12-20(13-15-21)16(2)3/h16-18H,5-15H2,1-4H3
InChIKeyLKTKHKFCGSABQO-UHFFFAOYSA-N
MW295.52 g/mol
LogP2.91
Rot. Bonds6

About 1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine

1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine (PubChem CID 177178708) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine
PubChem CID177178708
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCCC(C)CCN1CCC(N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-5-17(4)6-9-19-10-7-18(8-11-19)21-14-12-20(13-15-21)16(2)3/h16-18H,5-15H2,1-4H3
InChIKeyLKTKHKFCGSABQO-UHFFFAOYSA-N
XLogP2.91
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine (CID 177178708) is 1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine is CCC(C)CCN1CCC(N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
The InChIKey is LKTKHKFCGSABQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-5-17(4)6-9-19-10-7-18(8-11-19)21-14-12-20(13-15-21)16(2)3/h16-18H,5-15H2,1-4H3.
What are the key properties of 1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine has a molecular weight of 295.52 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 177178708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).