2-methylbutan-2-yl N-piperidin-4-ylcarbamate

C11H22N2O2 — CID 67158317

IUPAC2-methylbutan-2-yl N-piperidin-4-ylcarbamate
SMILESCCC(C)(C)OC(=O)NC1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-4-11(2,3)15-10(14)13-9-5-7-12-8-6-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyNTBGKZYJDIJUGP-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.65
Rot. Bonds3

About 2-methylbutan-2-yl N-piperidin-4-ylcarbamate

2-methylbutan-2-yl N-piperidin-4-ylcarbamate (PubChem CID 67158317) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Name2-methylbutan-2-yl N-piperidin-4-ylcarbamate
PubChem CID67158317
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methylbutan-2-yl N-piperidin-4-ylcarbamate
SMILESCCC(C)(C)OC(=O)NC1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-4-11(2,3)15-10(14)13-9-5-7-12-8-6-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyNTBGKZYJDIJUGP-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-piperidin-4-ylcarbamate;formic acid
CID 22990009
2-methoxyethyl N-piperidin-4-ylcarbamate
CID 15676970
tert-butyl N-[(3S)-azepan-3-yl]carbamate;tert-butyl N-[(3R)-azepan-3-yl]carbamate;tert-butyl N-[(4S)-azepan-4-yl]carbamate;tert-butyl N-[(4R)-azepan-4-yl]carbamate;tert-butyl N-[(3S)-piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;3-methylazetidine
CID 157216314
3,3-dimethyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 53255531
ethyl N-pyrrolidin-3-ylcarbamate
CID 11321104
2-(diethylamino)ethyl N-piperidin-4-ylcarbamate
CID 15676972
2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate
CID 142337471
ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride
CID 118918439
N-(azepan-4-yl)-2-methoxy-2-methylpropanamide
CID 107172264
benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate
CID 67159227
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;cyclopropanecarbaldehyde
CID 158414348
tert-butyl N-piperidin-4-ylcarbamate;pyridin-2-amine
CID 174858928

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-piperidin-4-ylcarbamate?
The IUPAC name of 2-methylbutan-2-yl N-piperidin-4-ylcarbamate (CID 67158317) is 2-methylbutan-2-yl N-piperidin-4-ylcarbamate.
What is the SMILES notation for 2-methylbutan-2-yl N-piperidin-4-ylcarbamate?
The canonical SMILES for 2-methylbutan-2-yl N-piperidin-4-ylcarbamate is CCC(C)(C)OC(=O)NC1CCNCC1.
What is the InChIKey of 2-methylbutan-2-yl N-piperidin-4-ylcarbamate?
The InChIKey is NTBGKZYJDIJUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-11(2,3)15-10(14)13-9-5-7-12-8-6-9/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-methylbutan-2-yl N-piperidin-4-ylcarbamate?
2-methylbutan-2-yl N-piperidin-4-ylcarbamate has a molecular weight of 214.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-piperidin-4-ylcarbamate is sourced from PubChem (CID 67158317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).