tert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate

C15H23FN4O2 — CID 59455702

IUPACtert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CN(c2ccncc2N)CC[C@@H]1F
InChIInChI=1S/C15H23FN4O2/c1-15(2,3)22-14(21)19-12-9-20(7-5-10(12)16)13-4-6-18-8-11(13)17/h4,6,8,10,12H,5,7,9,17H2,1-3H3,(H,19,21)/t10-,12+/m0/s1
InChIKeyUEWSOQWPBLRFJI-CMPLNLGQSA-N
MW310.37 g/mol
LogP2.11
Rot. Bonds2

About tert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate

tert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate (PubChem CID 59455702) has the molecular formula C15H23FN4O2 and a molecular weight of 310.37 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate
PubChem CID59455702
Molecular FormulaC15H23FN4O2
Molecular Weight310.37 g/mol
Exact Mass310.18
IUPAC Nametert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CN(c2ccncc2N)CC[C@@H]1F
InChIInChI=1S/C15H23FN4O2/c1-15(2,3)22-14(21)19-12-9-20(7-5-10(12)16)13-4-6-18-8-11(13)17/h4,6,8,10,12H,5,7,9,17H2,1-3H3,(H,19,21)/t10-,12+/m0/s1
InChIKeyUEWSOQWPBLRFJI-CMPLNLGQSA-N
XLogP2.11
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-(pyridin-3-yl)carbamate
CID 235275
tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate
CID 11737525
tert-butyl N-(2-methylpyridin-3-yl)carbamate
CID 68563825
3-Amino-4-(Boc-amino)pyridine
CID 11095863
methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate
CID 4070060
methyl N-(3-amino-4-pyridinyl)carbamate
CID 11768935
(1-Pyridin-4-ylpiperidin-4-yl) 4-propan-2-ylpiperazine-1-carboxylate
CID 89487863
4-(Boc-amino)pyridine
CID 9990210
(3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester
CID 10903275
3-(Boc-amino)pyridine
CID 10932321
tert-butyl N-(3-methylpyridin-4-yl)carbamate
CID 15273533
Tert-butyl 3-(pyridin-2-yl)piperazine-1-carboxylate
CID 72210356

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate (CID 59455702) is tert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CN(c2ccncc2N)CC[C@@H]1F.
What is the InChIKey of tert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate?
The InChIKey is UEWSOQWPBLRFJI-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H23FN4O2/c1-15(2,3)22-14(21)19-12-9-20(7-5-10(12)16)13-4-6-18-8-11(13)17/h4,6,8,10,12H,5,7,9,17H2,1-3H3,(H,19,21)/t10-,12+/m0/s1.
What are the key properties of tert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate?
tert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate has a molecular weight of 310.37 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4S)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate is sourced from PubChem (CID 59455702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).