tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate

C15H28N2O2 — CID 141128397

IUPACtert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(CC2CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)16-10-12-6-8-17(9-7-12)11-13-4-5-13/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyPDLXZWPOJGLEED-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.63
Rot. Bonds4

About tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate (PubChem CID 141128397) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
PubChem CID141128397
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(CC2CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)16-10-12-6-8-17(9-7-12)11-13-4-5-13/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyPDLXZWPOJGLEED-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 141269835
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
tert-butyl N-[[1-[[1-(4-aminophenyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]carbamate
CID 171652249
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566396
tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
tert-butyl N-[[1-(2-chloroprop-2-enyl)piperidin-4-yl]methyl]carbamate
CID 71967835
tert-butyl N-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]carbamate
CID 66565988
tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
CID 124606498
[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate
CID 67232140
acetic acid;tert-butyl N-[[1-(piperidin-1-ylmethyl)piperidin-4-yl]methyl]carbamate
CID 174671121

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate (CID 141128397) is tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(CC2CC2)CC1.
What is the InChIKey of tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate?
The InChIKey is PDLXZWPOJGLEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)16-10-12-6-8-17(9-7-12)11-13-4-5-13/h12-13H,4-11H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate has a molecular weight of 268.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 141128397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).