4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile

C9H16N2O2 — CID 87111631

IUPAC4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile
SMILESCOC1CN(C#N)CCC1[C@@H](C)O
InChIInChI=1S/C9H16N2O2/c1-7(12)8-3-4-11(6-10)5-9(8)13-2/h7-9,12H,3-5H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyNFWZWCWBCNXOTK-AFPNSQJFSA-N
MW184.24 g/mol
LogP0.19
Rot. Bonds2

About 4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile

4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile (PubChem CID 87111631) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile.

Molecular Properties

Compound Name4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile
PubChem CID87111631
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile
SMILESCOC1CN(C#N)CCC1[C@@H](C)O
InChIInChI=1S/C9H16N2O2/c1-7(12)8-3-4-11(6-10)5-9(8)13-2/h7-9,12H,3-5H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyNFWZWCWBCNXOTK-AFPNSQJFSA-N
XLogP0.19
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile?
The IUPAC name of 4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile (CID 87111631) is 4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile.
What is the SMILES notation for 4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile?
The canonical SMILES for 4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile is COC1CN(C#N)CCC1[C@@H](C)O.
What is the InChIKey of 4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile?
The InChIKey is NFWZWCWBCNXOTK-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(12)8-3-4-11(6-10)5-9(8)13-2/h7-9,12H,3-5H2,1-2H3/t7-,8?,9?/m1/s1.
What are the key properties of 4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile?
4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile has a molecular weight of 184.24 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-hydroxyethyl]-3-methoxypiperidine-1-carbonitrile is sourced from PubChem (CID 87111631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).