1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine

C23H29N3 — CID 10904165

IUPAC1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine
SMILESC1=C(c2ccccc2)CC[C@H](CCN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
InChIKeyMQHGACGPMGUHSJ-HXUWFJFHSA-N
MW347.51 g/mol
LogP4.48
Rot. Bonds5

About 1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine

1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine (PubChem CID 10904165) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine
PubChem CID10904165
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine
SMILESC1=C(c2ccccc2)CC[C@H](CCN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
InChIKeyMQHGACGPMGUHSJ-HXUWFJFHSA-N
XLogP4.48
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine (CID 10904165) is 1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine is C1=C(c2ccccc2)CC[C@H](CCN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine?
The InChIKey is MQHGACGPMGUHSJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1.
What are the key properties of 1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine?
1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine has a molecular weight of 347.51 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-4-phenylcyclohex-3-en-1-yl]ethyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 10904165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).