1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine

C22H35N3 — CID 99932282

IUPAC1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine
SMILESCC(C)C/C=C(\CN1CC[C@@H](N2CCN(C)CC2)C1)c1ccccc1
InChIInChI=1S/C22H35N3/c1-19(2)9-10-21(20-7-5-4-6-8-20)17-24-12-11-22(18-24)25-15-13-23(3)14-16-25/h4-8,10,19,22H,9,11-18H2,1-3H3/b21-10+/t22-/m1/s1
InChIKeyDILTXDVQQGZZAP-DZEJHBHFSA-N
MW341.54 g/mol
LogP3.44
Rot. Bonds6

About 1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine

1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine (PubChem CID 99932282) has the molecular formula C22H35N3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine
PubChem CID99932282
Molecular FormulaC22H35N3
Molecular Weight341.54 g/mol
Exact Mass341.28
IUPAC Name1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine
SMILESCC(C)C/C=C(\CN1CC[C@@H](N2CCN(C)CC2)C1)c1ccccc1
InChIInChI=1S/C22H35N3/c1-19(2)9-10-21(20-7-5-4-6-8-20)17-24-12-11-22(18-24)25-15-13-23(3)14-16-25/h4-8,10,19,22H,9,11-18H2,1-3H3/b21-10+/t22-/m1/s1
InChIKeyDILTXDVQQGZZAP-DZEJHBHFSA-N
XLogP3.44
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4-[(Z)-5-methyl-2-phenylhex-2-enyl]morpholin-2-yl]methanamine
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1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
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CID 79917318
4-(1,3-dihydroisoindol-2-yl)-1-[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine (CID 99932282) is 1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine is CC(C)C/C=C(\CN1CC[C@@H](N2CCN(C)CC2)C1)c1ccccc1.
What is the InChIKey of 1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine?
The InChIKey is DILTXDVQQGZZAP-DZEJHBHFSA-N. The full InChI is InChI=1S/C22H35N3/c1-19(2)9-10-21(20-7-5-4-6-8-20)17-24-12-11-22(18-24)25-15-13-23(3)14-16-25/h4-8,10,19,22H,9,11-18H2,1-3H3/b21-10+/t22-/m1/s1.
What are the key properties of 1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine?
1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine has a molecular weight of 341.54 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3R)-1-[(Z)-5-methyl-2-phenylhex-2-enyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 99932282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).