1-(1-deuterioethyl)piperidine

C7H15N — CID 101040239

IUPAC1-(1-deuterioethyl)piperidine
SMILES[2H]C(C)N1CCCCC1
InChIInChI=1S/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H3/i2D
InChIKeyHTLZVHNRZJPSMI-VMNATFBRSA-N
MW114.21 g/mol
LogP1.49
Rot. Bonds1

About 1-(1-deuterioethyl)piperidine

1-(1-deuterioethyl)piperidine (PubChem CID 101040239) has the molecular formula C7H15N and a molecular weight of 114.21 g/mol. Its IUPAC name is 1-(1-deuterioethyl)piperidine.

Molecular Properties

Compound Name1-(1-deuterioethyl)piperidine
PubChem CID101040239
Molecular FormulaC7H15N
Molecular Weight114.21 g/mol
Exact Mass114.13
IUPAC Name1-(1-deuterioethyl)piperidine
SMILES[2H]C(C)N1CCCCC1
InChIInChI=1S/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H3/i2D
InChIKeyHTLZVHNRZJPSMI-VMNATFBRSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethylpiperidine
CID 13007
1-ethylpiperidine;methane
CID 162133943
ethane;1-ethylpiperidine
CID 90845344
1,6-diethyl-1,6-diazecane
CID 172611513
1-ethylpyrrolidine;hydrofluoride
CID 163271504
dichloromethane;1-ethylpiperidine
CID 174832061
1-ethylpyrrolidine;sulfanyloxymethane
CID 172620530
methanol;1-propylpiperidine
CID 171515121
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
CID 173085999
CID 173085999
ethane;piperidin-1-ylmethanamine
CID 166079141
1-propylpyrrolidine;hydrobromide
CID 173024709

Frequently Asked Questions

What is the IUPAC name of 1-(1-deuterioethyl)piperidine?
The IUPAC name of 1-(1-deuterioethyl)piperidine (CID 101040239) is 1-(1-deuterioethyl)piperidine.
What is the SMILES notation for 1-(1-deuterioethyl)piperidine?
The canonical SMILES for 1-(1-deuterioethyl)piperidine is [2H]C(C)N1CCCCC1.
What is the InChIKey of 1-(1-deuterioethyl)piperidine?
The InChIKey is HTLZVHNRZJPSMI-VMNATFBRSA-N. The full InChI is InChI=1S/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H3/i2D.
What are the key properties of 1-(1-deuterioethyl)piperidine?
1-(1-deuterioethyl)piperidine has a molecular weight of 114.21 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-deuterioethyl)piperidine is sourced from PubChem (CID 101040239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).