1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine

C22H32N4 — CID 45205063

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine
SMILESCn1cc(CN2CCC(C3CCN(CCc4ccccc4)C3)CC2)cn1
InChIInChI=1S/C22H32N4/c1-24-16-20(15-23-24)17-25-12-8-21(9-13-25)22-10-14-26(18-22)11-7-19-5-3-2-4-6-19/h2-6,15-16,21-22H,7-14,17-18H2,1H3
InChIKeyYTXVNYDEMFNGEB-UHFFFAOYSA-N
MW352.53 g/mol
LogP3.20
Rot. Bonds6

About 1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine

1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine (PubChem CID 45205063) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine
PubChem CID45205063
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine
SMILESCn1cc(CN2CCC(C3CCN(CCc4ccccc4)C3)CC2)cn1
InChIInChI=1S/C22H32N4/c1-24-16-20(15-23-24)17-25-12-8-21(9-13-25)22-10-14-26(18-22)11-7-19-5-3-2-4-6-19/h2-6,15-16,21-22H,7-14,17-18H2,1H3
InChIKeyYTXVNYDEMFNGEB-UHFFFAOYSA-N
XLogP3.20
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine (CID 45205063) is 1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine is Cn1cc(CN2CCC(C3CCN(CCc4ccccc4)C3)CC2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine?
The InChIKey is YTXVNYDEMFNGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4/c1-24-16-20(15-23-24)17-25-12-8-21(9-13-25)22-10-14-26(18-22)11-7-19-5-3-2-4-6-19/h2-6,15-16,21-22H,7-14,17-18H2,1H3.
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine?
1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine has a molecular weight of 352.53 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine is sourced from PubChem (CID 45205063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).