(2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine

C9H17NO2 — CID 14565956

IUPAC(2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine
SMILESC1CC[C@H](CC2OCCO2)NC1
InChIInChI=1S/C9H17NO2/c1-2-4-10-8(3-1)7-9-11-5-6-12-9/h8-10H,1-7H2/t8-/m1/s1
InChIKeyGBTHTSOBCNQRTR-MRVPVSSYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds2

About (2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine

(2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine (PubChem CID 14565956) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine
PubChem CID14565956
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine
SMILESC1CC[C@H](CC2OCCO2)NC1
InChIInChI=1S/C9H17NO2/c1-2-4-10-8(3-1)7-9-11-5-6-12-9/h8-10H,1-7H2/t8-/m1/s1
InChIKeyGBTHTSOBCNQRTR-MRVPVSSYSA-N
XLogP0.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine?
The IUPAC name of (2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine (CID 14565956) is (2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine.
What is the SMILES notation for (2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine?
The canonical SMILES for (2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine is C1CC[C@H](CC2OCCO2)NC1.
What is the InChIKey of (2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine?
The InChIKey is GBTHTSOBCNQRTR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-4-10-8(3-1)7-9-11-5-6-12-9/h8-10H,1-7H2/t8-/m1/s1.
What are the key properties of (2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine?
(2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine has a molecular weight of 171.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dioxolan-2-ylmethyl)piperidine is sourced from PubChem (CID 14565956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).