(3R)-piperidine-3-carbaldehyde;dihydrochloride

C6H13Cl2NO — CID 138683513

IUPAC(3R)-piperidine-3-carbaldehyde;dihydrochloride
SMILESCl.Cl.O=C[C@@H]1CCCNC1
InChIInChI=1S/C6H11NO.2ClH/c8-5-6-2-1-3-7-4-6;;/h5-7H,1-4H2;2*1H/t6-;;/m1../s1
InChIKeyFXWUXNUMEIESFZ-QYCVXMPOSA-N
MW186.08 g/mol
LogP1.03
Rot. Bonds1

About (3R)-piperidine-3-carbaldehyde;dihydrochloride

(3R)-piperidine-3-carbaldehyde;dihydrochloride (PubChem CID 138683513) has the molecular formula C6H13Cl2NO and a molecular weight of 186.08 g/mol. Its IUPAC name is (3R)-piperidine-3-carbaldehyde;dihydrochloride.

Molecular Properties

Compound Name(3R)-piperidine-3-carbaldehyde;dihydrochloride
PubChem CID138683513
Molecular FormulaC6H13Cl2NO
Molecular Weight186.08 g/mol
Exact Mass185.04
IUPAC Name(3R)-piperidine-3-carbaldehyde;dihydrochloride
SMILESCl.Cl.O=C[C@@H]1CCCNC1
InChIInChI=1S/C6H11NO.2ClH/c8-5-6-2-1-3-7-4-6;;/h5-7H,1-4H2;2*1H/t6-;;/m1../s1
InChIKeyFXWUXNUMEIESFZ-QYCVXMPOSA-N
XLogP1.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 51.03
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;piperidine-3-carbaldehyde;propane
CID 145347088
(Z)-4-piperidin-3-ylbut-3-enal
CID 117267528
2-piperidin-3-ylethenol
CID 143898593
4-aminoazepane-3-carbaldehyde
CID 174422749
cyclodecanecarbaldehyde
CID 13240747
cyclooctane-1,5-dicarbaldehyde
CID 18542113
1,3-diazinane-5-carbaldehyde
CID 151779115
3-[(E)-3-methylbut-1-enyl]piperidine
CID 126845322
N-amino-N-piperidin-3-ylformamide;dihydrochloride
CID 174773724
cyclooctane-1,4-dicarbaldehyde
CID 19884381
cyclopentadecane-1,5-dicarbaldehyde
CID 135390185
3-[(E)-2-methylbut-1-enyl]piperidine
CID 126845848

Frequently Asked Questions

What is the IUPAC name of (3R)-piperidine-3-carbaldehyde;dihydrochloride?
The IUPAC name of (3R)-piperidine-3-carbaldehyde;dihydrochloride (CID 138683513) is (3R)-piperidine-3-carbaldehyde;dihydrochloride.
What is the SMILES notation for (3R)-piperidine-3-carbaldehyde;dihydrochloride?
The canonical SMILES for (3R)-piperidine-3-carbaldehyde;dihydrochloride is Cl.Cl.O=C[C@@H]1CCCNC1.
What is the InChIKey of (3R)-piperidine-3-carbaldehyde;dihydrochloride?
The InChIKey is FXWUXNUMEIESFZ-QYCVXMPOSA-N. The full InChI is InChI=1S/C6H11NO.2ClH/c8-5-6-2-1-3-7-4-6;;/h5-7H,1-4H2;2*1H/t6-;;/m1../s1.
What are the key properties of (3R)-piperidine-3-carbaldehyde;dihydrochloride?
(3R)-piperidine-3-carbaldehyde;dihydrochloride has a molecular weight of 186.08 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-piperidine-3-carbaldehyde;dihydrochloride is sourced from PubChem (CID 138683513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).