1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol

C27H38N2O — CID 142015465

IUPAC1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol
SMILESCC(Cc1ccccc1)CC1(O)CCN(CC2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C27H38N2O/c1-23(18-24-8-4-2-5-9-24)19-27(30)13-16-28(17-14-27)21-26-12-15-29(22-26)20-25-10-6-3-7-11-25/h2-11,23,26,30H,12-22H2,1H3
InChIKeyPDMKNBXKUYQOND-UHFFFAOYSA-N
MW406.61 g/mol
LogP4.60
Rot. Bonds8

About 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol

1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol (PubChem CID 142015465) has the molecular formula C27H38N2O and a molecular weight of 406.61 g/mol. Its IUPAC name is 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol
PubChem CID142015465
Molecular FormulaC27H38N2O
Molecular Weight406.61 g/mol
Exact Mass406.30
IUPAC Name1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol
SMILESCC(Cc1ccccc1)CC1(O)CCN(CC2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C27H38N2O/c1-23(18-24-8-4-2-5-9-24)19-27(30)13-16-28(17-14-27)21-26-12-15-29(22-26)20-25-10-6-3-7-11-25/h2-11,23,26,30H,12-22H2,1H3
InChIKeyPDMKNBXKUYQOND-UHFFFAOYSA-N
XLogP4.60
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.61
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
1-[[(3R)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-4-(3-phenylpropyl)piperidin-4-ol
CID 142015485
1-benzyl-3-ethylpyrrolidine
CID 12648208
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
1-benzyl-3-propylpyrrolidine
CID 12648211
1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene
CID 142015532
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
CID 91830355
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol?
The IUPAC name of 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol (CID 142015465) is 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol.
What is the SMILES notation for 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol?
The canonical SMILES for 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol is CC(Cc1ccccc1)CC1(O)CCN(CC2CCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol?
The InChIKey is PDMKNBXKUYQOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O/c1-23(18-24-8-4-2-5-9-24)19-27(30)13-16-28(17-14-27)21-26-12-15-29(22-26)20-25-10-6-3-7-11-25/h2-11,23,26,30H,12-22H2,1H3.
What are the key properties of 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol?
1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol has a molecular weight of 406.61 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpyrrolidin-3-yl)methyl]-4-(2-methyl-3-phenylpropyl)piperidin-4-ol is sourced from PubChem (CID 142015465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).