butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate

C14H25NO3 — CID 70848394

IUPACbutyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(CC2(O)CC2)CC1
InChIInChI=1S/C14H25NO3/c1-2-3-10-18-13(16)15-8-4-12(5-9-15)11-14(17)6-7-14/h12,17H,2-11H2,1H3
InChIKeyFFOLLJIXZIOAFT-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.55
Rot. Bonds5

About butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate

butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate (PubChem CID 70848394) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate
PubChem CID70848394
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namebutyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(CC2(O)CC2)CC1
InChIInChI=1S/C14H25NO3/c1-2-3-10-18-13(16)15-8-4-12(5-9-15)11-14(17)6-7-14/h12,17H,2-11H2,1H3
InChIKeyFFOLLJIXZIOAFT-UHFFFAOYSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-bromopiperidine-1-carboxylate
CID 21219163
butyl aziridine-1-carboxylate
CID 12641
butyl 4-(3-iodopropyl)piperidine-1-carboxylate
CID 151178027
butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 70848391
butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 151751894
butyl 4-carbamimidoylpiperidine-1-carboxylate
CID 57232274
butyl 5-methyl-1,4-diazepane-1-carboxylate
CID 82241789
1-butoxycarbonyl-4-methylpiperidine-4-carboxylic acid
CID 66661220
butyl 3-aminoazetidine-1-carboxylate
CID 68600726
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 108563148
2-methoxyethyl 4-ethylpiperidine-1-carboxylate
CID 70658235

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate (CID 70848394) is butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate is CCCCOC(=O)N1CCC(CC2(O)CC2)CC1.
What is the InChIKey of butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate?
The InChIKey is FFOLLJIXZIOAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-3-10-18-13(16)15-8-4-12(5-9-15)11-14(17)6-7-14/h12,17H,2-11H2,1H3.
What are the key properties of butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate?
butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 70848394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).