tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate

C14H25NO3 — CID 58128555

IUPACtert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CC2CO)CC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15-6-4-10(5-7-15)12-8-11(12)9-16/h10-12,16H,4-9H2,1-3H3
InChIKeyPXVMOVQTFNAUJP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.26
Rot. Bonds2

About tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate

tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate (PubChem CID 58128555) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate
PubChem CID58128555
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CC2CO)CC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15-6-4-10(5-7-15)12-8-11(12)9-16/h10-12,16H,4-9H2,1-3H3
InChIKeyPXVMOVQTFNAUJP-UHFFFAOYSA-N
XLogP2.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(1R,2R)-2-formylcyclopropyl]piperidine-1-carboxylate;tert-butyl 4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate
CID 165067970
tert-butyl 4-[(1R,2R)-2-(iodomethyl)cyclopropyl]piperidine-1-carboxylate
CID 86717780
tert-butyl 3-[2-(hydroxymethyl)cyclopropyl]azetidine-1-carboxylate
CID 130138495
tert-butyl 4-[[(1S,2R)-2-(hydroxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate
CID 58128492
tert-butyl 4-[[(1R,2S)-2-(hydroxymethyl)cyclopropyl]methyl]piperidine-1-carboxylate
CID 58128606
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]piperidine-1-carboxylate
CID 135344448
tert-butyl 4-[2-(phenylmethoxymethyl)cyclopropyl]piperidine-1-carboxylate
CID 58128527
tert-butyl 4-(2-ethynylcyclopropyl)piperidine-1-carboxylate
CID 123239181
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate
CID 83404845
tert-butyl (1S,6R)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124704176

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate (CID 58128555) is tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2CC2CO)CC1.
What is the InChIKey of tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate?
The InChIKey is PXVMOVQTFNAUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15-6-4-10(5-7-15)12-8-11(12)9-16/h10-12,16H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 58128555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).