3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal

C14H25NO — CID 144798995

IUPAC3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal
SMILESCC1CCN(CC(C=O)C(C)C2CC2)CC1
InChIInChI=1S/C14H25NO/c1-11-5-7-15(8-6-11)9-14(10-16)12(2)13-3-4-13/h10-14H,3-9H2,1-2H3
InChIKeyITHDDYPAEQXUIU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds5

About 3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal

3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal (PubChem CID 144798995) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal.

Molecular Properties

Compound Name3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal
PubChem CID144798995
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal
SMILESCC1CCN(CC(C=O)C(C)C2CC2)CC1
InChIInChI=1S/C14H25NO/c1-11-5-7-15(8-6-11)9-14(10-16)12(2)13-3-4-13/h10-14H,3-9H2,1-2H3
InChIKeyITHDDYPAEQXUIU-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
(2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine
CID 22689697
3-methyl-1-(2-propan-2-yloxypropyl)pyrrolidine
CID 167534931
2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 61225596
methylcyclopentane;2-methylpropanedial
CID 91490544
3-methyl-1-(4-methylpiperidin-1-yl)butan-2-one
CID 23588199
formaldehyde;4-methyl-1-(3-methylbutyl)piperidine
CID 143870022
(1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide
CID 40647753
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 116655615
4-methoxy-1-(4-methylpiperidin-1-yl)butan-2-amine
CID 62477662
2-[methyl-[(4-methylpiperidin-1-yl)methyl]amino]acetaldehyde
CID 143122582
3-(4-methylcyclohexyl)butanal
CID 21290463

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal?
The IUPAC name of 3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal (CID 144798995) is 3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal.
What is the SMILES notation for 3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal?
The canonical SMILES for 3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal is CC1CCN(CC(C=O)C(C)C2CC2)CC1.
What is the InChIKey of 3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal?
The InChIKey is ITHDDYPAEQXUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-5-7-15(8-6-11)9-14(10-16)12(2)13-3-4-13/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal?
3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal has a molecular weight of 223.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(4-methylpiperidin-1-yl)methyl]butanal is sourced from PubChem (CID 144798995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).