1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine

C16H24N2 — CID 6937921

IUPAC1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine
SMILESC[C@H]1CC[C@H](N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C16H24N2/c1-14-7-8-16(13-14)18-11-9-17(10-12-18)15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3/t14-,16-/m0/s1
InChIKeyWLOHZXKWVPQOQY-HOCLYGCPSA-N
MW244.38 g/mol
LogP3.00
Rot. Bonds2

About 1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine

1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine (PubChem CID 6937921) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine
PubChem CID6937921
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine
SMILESC[C@H]1CC[C@H](N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C16H24N2/c1-14-7-8-16(13-14)18-11-9-17(10-12-18)15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3/t14-,16-/m0/s1
InChIKeyWLOHZXKWVPQOQY-HOCLYGCPSA-N
XLogP3.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine
CID 2845220
1-(2-fluorophenyl)-4-[(1R,3R)-3-methylcyclopentyl]piperazine
CID 26458018
4-methyl-2-(4-phenylpiperazin-1-yl)cyclohexan-1-amine
CID 82171454
1-(2-fluorophenyl)-4-(3-methylcyclopentyl)piperazine
CID 2845312
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
1-cycloheptyl-4-phenylpiperazine
CID 2846720
1-(4-chlorophenyl)-4-(4-methylcyclohexyl)piperazine
CID 23856792
ethane;4-methyl-1-phenylpiperidine
CID 143180672
1-phenyl-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine
CID 1317152
1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine
CID 7074526
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
4-[(1R,3S)-3-methylcyclopentyl]morpholine
CID 7448488

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine?
The IUPAC name of 1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine (CID 6937921) is 1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine is C[C@H]1CC[C@H](N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine?
The InChIKey is WLOHZXKWVPQOQY-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H24N2/c1-14-7-8-16(13-14)18-11-9-17(10-12-18)15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3/t14-,16-/m0/s1.
What are the key properties of 1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine?
1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine has a molecular weight of 244.38 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine is sourced from PubChem (CID 6937921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).