tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate

C14H26N2O2 — CID 175669782

IUPACtert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCN1C1CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)15-10-12-6-4-5-9-16(12)11-7-8-11/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyWYRBPIKXEJWERB-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate

tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate (PubChem CID 175669782) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate
PubChem CID175669782
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCN1C1CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)15-10-12-6-4-5-9-16(12)11-7-8-11/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyWYRBPIKXEJWERB-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
CID 96553784
tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate
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tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
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N-[(1-cyclohexylpiperidin-2-yl)methyl]acetamide
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tert-butyl N-[[(2S)-1-pent-3-ynylpiperidin-2-yl]methyl]carbamate
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N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide
CID 166229765
ditert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]diazinane-1,2-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate (CID 175669782) is tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCCN1C1CC1.
What is the InChIKey of tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate?
The InChIKey is WYRBPIKXEJWERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)15-10-12-6-4-5-9-16(12)11-7-8-11/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate?
tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate is sourced from PubChem (CID 175669782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).