1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

C21H32N2O2 — CID 77088633

IUPAC1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESOC1(CN2CCCC2)CCN(CC2(c3ccccc3)CCOC2)CC1
InChIInChI=1S/C21H32N2O2/c24-21(17-22-11-4-5-12-22)8-13-23(14-9-21)16-20(10-15-25-18-20)19-6-2-1-3-7-19/h1-3,6-7,24H,4-5,8-18H2
InChIKeyADTCDDVPBYUEGG-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.27
Rot. Bonds5

About 1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (PubChem CID 77088633) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
PubChem CID77088633
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESOC1(CN2CCCC2)CCN(CC2(c3ccccc3)CCOC2)CC1
InChIInChI=1S/C21H32N2O2/c24-21(17-22-11-4-5-12-22)8-13-23(14-9-21)16-20(10-15-25-18-20)19-6-2-1-3-7-19/h1-3,6-7,24H,4-5,8-18H2
InChIKeyADTCDDVPBYUEGG-UHFFFAOYSA-N
XLogP2.27
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (CID 77088633) is 1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is OC1(CN2CCCC2)CCN(CC2(c3ccccc3)CCOC2)CC1.
What is the InChIKey of 1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The InChIKey is ADTCDDVPBYUEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c24-21(17-22-11-4-5-12-22)8-13-23(14-9-21)16-20(10-15-25-18-20)19-6-2-1-3-7-19/h1-3,6-7,24H,4-5,8-18H2.
What are the key properties of 1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol has a molecular weight of 344.50 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 77088633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).