4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile

C20H29N3O — CID 69354506

IUPAC4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile
SMILESCC(C)N1CCC(OC2CCN(c3ccc(C#N)cc3)CC2)CC1
InChIInChI=1S/C20H29N3O/c1-16(2)22-11-7-19(8-12-22)24-20-9-13-23(14-10-20)18-5-3-17(15-21)4-6-18/h3-6,16,19-20H,7-14H2,1-2H3
InChIKeyRIRWRSQXDDJXDS-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.42
Rot. Bonds4

About 4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile

4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile (PubChem CID 69354506) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile
PubChem CID69354506
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile
SMILESCC(C)N1CCC(OC2CCN(c3ccc(C#N)cc3)CC2)CC1
InChIInChI=1S/C20H29N3O/c1-16(2)22-11-7-19(8-12-22)24-20-9-13-23(14-10-20)18-5-3-17(15-21)4-6-18/h3-6,16,19-20H,7-14H2,1-2H3
InChIKeyRIRWRSQXDDJXDS-UHFFFAOYSA-N
XLogP3.42
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile?
The IUPAC name of 4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile (CID 69354506) is 4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile?
The canonical SMILES for 4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile is CC(C)N1CCC(OC2CCN(c3ccc(C#N)cc3)CC2)CC1.
What is the InChIKey of 4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile?
The InChIKey is RIRWRSQXDDJXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-16(2)22-11-7-19(8-12-22)24-20-9-13-23(14-10-20)18-5-3-17(15-21)4-6-18/h3-6,16,19-20H,7-14H2,1-2H3.
What are the key properties of 4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile?
4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile has a molecular weight of 327.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]benzonitrile is sourced from PubChem (CID 69354506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).