tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate

C17H27N3O2 — CID 97086186

IUPACtert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C17H27N3O2/c1-13(19-16(21)22-17(2,3)4)14-8-7-11-20(12-14)15-9-5-6-10-18-15/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,19,21)/t13-,14+/m1/s1
InChIKeyKVOCAJOSYHKHTP-KGLIPLIRSA-N
MW305.42 g/mol
LogP3.21
Rot. Bonds3

About tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate (PubChem CID 97086186) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate
PubChem CID97086186
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C17H27N3O2/c1-13(19-16(21)22-17(2,3)4)14-8-7-11-20(12-14)15-9-5-6-10-18-15/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,19,21)/t13-,14+/m1/s1
InChIKeyKVOCAJOSYHKHTP-KGLIPLIRSA-N
XLogP3.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-pyridin-2-ylpiperidin-3-yl)ethanamine
CID 63853005
tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate
CID 99855102
tert-butyl N-[1-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]ethyl]carbamate
CID 71970942
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
tert-butyl N-[(2R)-1-oxo-1-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]amino]propan-2-yl]carbamate
CID 94518257
tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 98232041
tert-butyl N-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 99725150
tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
CID 91811841
tert-butyl N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 133482310
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 95735597
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
tert-butyl N-[(3S)-1-(6-bromo-2-pyridinyl)piperidin-3-yl]carbamate
CID 86318359

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate (CID 97086186) is tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccccn2)C1.
What is the InChIKey of tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate?
The InChIKey is KVOCAJOSYHKHTP-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(19-16(21)22-17(2,3)4)14-8-7-11-20(12-14)15-9-5-6-10-18-15/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,19,21)/t13-,14+/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 97086186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).