3-piperidin-3-yloxybenzonitrile

C12H14N2O — CID 22309128

IUPAC3-piperidin-3-yloxybenzonitrile
SMILESN#Cc1cccc(OC2CCCNC2)c1
InChIInChI=1S/C12H14N2O/c13-8-10-3-1-4-11(7-10)15-12-5-2-6-14-9-12/h1,3-4,7,12,14H,2,5-6,9H2
InChIKeyOSURJDMYHKQISX-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.69
Rot. Bonds2

About 3-piperidin-3-yloxybenzonitrile

3-piperidin-3-yloxybenzonitrile (PubChem CID 22309128) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-piperidin-3-yloxybenzonitrile.

Molecular Properties

Compound Name3-piperidin-3-yloxybenzonitrile
PubChem CID22309128
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-piperidin-3-yloxybenzonitrile
SMILESN#Cc1cccc(OC2CCCNC2)c1
InChIInChI=1S/C12H14N2O/c13-8-10-3-1-4-11(7-10)15-12-5-2-6-14-9-12/h1,3-4,7,12,14H,2,5-6,9H2
InChIKeyOSURJDMYHKQISX-UHFFFAOYSA-N
XLogP1.69
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-phenoxypiperidine
CID 42553363
3-[[(3S)-piperidin-3-yl]methoxy]benzonitrile
CID 93481139
2-fluoro-4-[(3R)-piperidin-3-yl]oxybenzonitrile
CID 86333460
3-(3-propan-2-ylphenoxy)piperidine
CID 45075406
3-[(3R,4R)-3-fluoropiperidin-4-yl]oxybenzonitrile
CID 129278036
3-(3-hydroxycyclohexyl)oxybenzonitrile
CID 117052718
3-(azetidin-3-yloxy)benzonitrile;2,2,2-trifluoroacetic acid
CID 166747193
3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine
CID 115042136
3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile
CID 63705014
3,5-difluoro-4-piperidin-3-yloxybenzonitrile
CID 81286798
(3R)-3-(3,4-dimethylphenoxy)piperidine
CID 26191417
3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 74892056

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yloxybenzonitrile?
The IUPAC name of 3-piperidin-3-yloxybenzonitrile (CID 22309128) is 3-piperidin-3-yloxybenzonitrile.
What is the SMILES notation for 3-piperidin-3-yloxybenzonitrile?
The canonical SMILES for 3-piperidin-3-yloxybenzonitrile is N#Cc1cccc(OC2CCCNC2)c1.
What is the InChIKey of 3-piperidin-3-yloxybenzonitrile?
The InChIKey is OSURJDMYHKQISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-8-10-3-1-4-11(7-10)15-12-5-2-6-14-9-12/h1,3-4,7,12,14H,2,5-6,9H2.
What are the key properties of 3-piperidin-3-yloxybenzonitrile?
3-piperidin-3-yloxybenzonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yloxybenzonitrile is sourced from PubChem (CID 22309128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).