(2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde

C10H19NO — CID 145051006

IUPAC(2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde
SMILESCC(C)C1CCN(C=O)[C@@H](C)C1
InChIInChI=1S/C10H19NO/c1-8(2)10-4-5-11(7-12)9(3)6-10/h7-10H,4-6H2,1-3H3/t9-,10?/m0/s1
InChIKeyDYJNLKOGRDNODS-RGURZIINSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds2

About (2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde

(2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde (PubChem CID 145051006) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name(2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde
PubChem CID145051006
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde
SMILESCC(C)C1CCN(C=O)[C@@H](C)C1
InChIInChI=1S/C10H19NO/c1-8(2)10-4-5-11(7-12)9(3)6-10/h7-10H,4-6H2,1-3H3/t9-,10?/m0/s1
InChIKeyDYJNLKOGRDNODS-RGURZIINSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde?
The IUPAC name of (2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde (CID 145051006) is (2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde.
What is the SMILES notation for (2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde?
The canonical SMILES for (2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde is CC(C)C1CCN(C=O)[C@@H](C)C1.
What is the InChIKey of (2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde?
The InChIKey is DYJNLKOGRDNODS-RGURZIINSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)10-4-5-11(7-12)9(3)6-10/h7-10H,4-6H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of (2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde?
(2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde has a molecular weight of 169.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-propan-2-ylpiperidine-1-carbaldehyde is sourced from PubChem (CID 145051006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).