1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine

C16H31N3 — CID 174179879

IUPAC1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine
SMILESCC1CCC(CN2CCN(C3CCNCC3)CC2)C1
InChIInChI=1S/C16H31N3/c1-14-2-3-15(12-14)13-18-8-10-19(11-9-18)16-4-6-17-7-5-16/h14-17H,2-13H2,1H3
InChIKeyLGIVAZMPHJIETO-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.79
Rot. Bonds3

About 1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine

1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine (PubChem CID 174179879) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine.

Molecular Properties

Compound Name1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine
PubChem CID174179879
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine
SMILESCC1CCC(CN2CCN(C3CCNCC3)CC2)C1
InChIInChI=1S/C16H31N3/c1-14-2-3-15(12-14)13-18-8-10-19(11-9-18)16-4-6-17-7-5-16/h14-17H,2-13H2,1H3
InChIKeyLGIVAZMPHJIETO-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine?
The IUPAC name of 1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine (CID 174179879) is 1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine.
What is the SMILES notation for 1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine?
The canonical SMILES for 1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine is CC1CCC(CN2CCN(C3CCNCC3)CC2)C1.
What is the InChIKey of 1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine?
The InChIKey is LGIVAZMPHJIETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14-2-3-15(12-14)13-18-8-10-19(11-9-18)16-4-6-17-7-5-16/h14-17H,2-13H2,1H3.
What are the key properties of 1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine?
1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine has a molecular weight of 265.44 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclopentyl)methyl]-4-piperidin-4-ylpiperazine is sourced from PubChem (CID 174179879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).