tert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate

C14H26N2O2 — CID 50986369

IUPACtert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CC1CC1)C1CCNCC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16(10-11-4-5-11)12-6-8-15-9-7-12/h11-12,15H,4-10H2,1-3H3
InChIKeyJDZKAHGAGPZHFJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.39
Rot. Bonds3

About tert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate

tert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate (PubChem CID 50986369) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate
PubChem CID50986369
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CC1CC1)C1CCNCC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16(10-11-4-5-11)12-6-8-15-9-7-12/h11-12,15H,4-10H2,1-3H3
InChIKeyJDZKAHGAGPZHFJ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate (CID 50986369) is tert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate is CC(C)(C)OC(=O)N(CC1CC1)C1CCNCC1.
What is the InChIKey of tert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate?
The InChIKey is JDZKAHGAGPZHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16(10-11-4-5-11)12-6-8-15-9-7-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of tert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate?
tert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate has a molecular weight of 254.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyclopropylmethyl)-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 50986369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).