(2R)-piperidine-2-carbaldehyde;hydrochloride

C6H12ClNO — CID 131884313

IUPAC(2R)-piperidine-2-carbaldehyde;hydrochloride
SMILESCl.O=C[C@H]1CCCCN1
InChIInChI=1S/C6H11NO.ClH/c8-5-6-3-1-2-4-7-6;/h5-7H,1-4H2;1H/t6-;/m1./s1
InChIKeySMIVUFDJLJNXOS-FYZOBXCZSA-N
MW149.62 g/mol
LogP0.75
Rot. Bonds1

About (2R)-piperidine-2-carbaldehyde;hydrochloride

(2R)-piperidine-2-carbaldehyde;hydrochloride (PubChem CID 131884313) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (2R)-piperidine-2-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name(2R)-piperidine-2-carbaldehyde;hydrochloride
PubChem CID131884313
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(2R)-piperidine-2-carbaldehyde;hydrochloride
SMILESCl.O=C[C@H]1CCCCN1
InChIInChI=1S/C6H11NO.ClH/c8-5-6-3-1-2-4-7-6;/h5-7H,1-4H2;1H/t6-;/m1./s1
InChIKeySMIVUFDJLJNXOS-FYZOBXCZSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethane;(2R)-pyrrolidine-2-carbaldehyde
CID 177324827
tert-butyl formate;piperidine-2-carbaldehyde
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oxadiazole;(2S)-pyrrolidine-2-carbaldehyde
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(NZ)-N-(piperidin-2-ylmethylidene)hydroxylamine
CID 6332583
azepan-2-ylmethanimine
CID 88721804
tert-butyl carbamate;methanol;pyrrolidine-2-carbaldehyde
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1,3-diazocane-2-carbaldehyde
CID 87301579
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
(Z)-4-piperidin-2-ylbut-3-en-1-amine
CID 117267610
2-[(E)-2-(4-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844801

Frequently Asked Questions

What is the IUPAC name of (2R)-piperidine-2-carbaldehyde;hydrochloride?
The IUPAC name of (2R)-piperidine-2-carbaldehyde;hydrochloride (CID 131884313) is (2R)-piperidine-2-carbaldehyde;hydrochloride.
What is the SMILES notation for (2R)-piperidine-2-carbaldehyde;hydrochloride?
The canonical SMILES for (2R)-piperidine-2-carbaldehyde;hydrochloride is Cl.O=C[C@H]1CCCCN1.
What is the InChIKey of (2R)-piperidine-2-carbaldehyde;hydrochloride?
The InChIKey is SMIVUFDJLJNXOS-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c8-5-6-3-1-2-4-7-6;/h5-7H,1-4H2;1H/t6-;/m1./s1.
What are the key properties of (2R)-piperidine-2-carbaldehyde;hydrochloride?
(2R)-piperidine-2-carbaldehyde;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-piperidine-2-carbaldehyde;hydrochloride is sourced from PubChem (CID 131884313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).