3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine

C21H35N3 — CID 74591802

IUPAC3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine
SMILESCC(C)CC1CNNC1C1CCCN(CC(C)c2ccccc2)C1
InChIInChI=1S/C21H35N3/c1-16(2)12-20-13-22-23-21(20)19-10-7-11-24(15-19)14-17(3)18-8-5-4-6-9-18/h4-6,8-9,16-17,19-23H,7,10-15H2,1-3H3
InChIKeyXIVNQISZIHLAIN-UHFFFAOYSA-N
MW329.53 g/mol
LogP3.64
Rot. Bonds6

About 3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine

3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine (PubChem CID 74591802) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine
PubChem CID74591802
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine
SMILESCC(C)CC1CNNC1C1CCCN(CC(C)c2ccccc2)C1
InChIInChI=1S/C21H35N3/c1-16(2)12-20-13-22-23-21(20)19-10-7-11-24(15-19)14-17(3)18-8-5-4-6-9-18/h4-6,8-9,16-17,19-23H,7,10-15H2,1-3H3
InChIKeyXIVNQISZIHLAIN-UHFFFAOYSA-N
XLogP3.64
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine
CID 61101148
N-methyl-1-(2-phenylpropyl)piperidin-3-amine
CID 55086340
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520
N-[[1-(2-phenylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240509
3-methyl-1-(2-phenylpropyl)piperazine
CID 65416584
2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol
CID 75100275
3-methyl-1-(2-phenylpropyl)piperidin-4-amine
CID 79879108
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine
CID 98575835
3-ethyl-1-(2-phenylpropyl)piperidin-4-amine
CID 81456838
(3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 98760298
3-butan-2-yl-1-(2-phenylpropyl)-1,4-diazepane
CID 104592353

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine?
The IUPAC name of 3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine (CID 74591802) is 3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine.
What is the SMILES notation for 3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine?
The canonical SMILES for 3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine is CC(C)CC1CNNC1C1CCCN(CC(C)c2ccccc2)C1.
What is the InChIKey of 3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine?
The InChIKey is XIVNQISZIHLAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3/c1-16(2)12-20-13-22-23-21(20)19-10-7-11-24(15-19)14-17(3)18-8-5-4-6-9-18/h4-6,8-9,16-17,19-23H,7,10-15H2,1-3H3.
What are the key properties of 3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine?
3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine has a molecular weight of 329.53 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)pyrazolidin-3-yl]-1-(2-phenylpropyl)piperidine is sourced from PubChem (CID 74591802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).