1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine

C19H30N2 — CID 64840410

IUPAC1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CC2CCCC2)C(c2ccccc2)CN1
InChIInChI=1S/C19H30N2/c1-15(2)18-14-21(13-16-8-6-7-9-16)19(12-20-18)17-10-4-3-5-11-17/h3-5,10-11,15-16,18-20H,6-9,12-14H2,1-2H3
InChIKeyYRAQQDQVBBURCG-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.85
Rot. Bonds4

About 1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine

1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine (PubChem CID 64840410) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine
PubChem CID64840410
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CC2CCCC2)C(c2ccccc2)CN1
InChIInChI=1S/C19H30N2/c1-15(2)18-14-21(13-16-8-6-7-9-16)19(12-20-18)17-10-4-3-5-11-17/h3-5,10-11,15-16,18-20H,6-9,12-14H2,1-2H3
InChIKeyYRAQQDQVBBURCG-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine (CID 64840410) is 1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine is CC(C)C1CN(CC2CCCC2)C(c2ccccc2)CN1.
What is the InChIKey of 1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine?
The InChIKey is YRAQQDQVBBURCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(2)18-14-21(13-16-8-6-7-9-16)19(12-20-18)17-10-4-3-5-11-17/h3-5,10-11,15-16,18-20H,6-9,12-14H2,1-2H3.
What are the key properties of 1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine?
1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64840410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).