tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate

C14H27F2N3O2 — CID 107257390

IUPACtert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CNCC1CCCNC1
InChIInChI=1S/C14H27F2N3O2/c1-13(2,3)21-12(20)19-10-14(15,16)9-18-8-11-5-4-6-17-7-11/h11,17-18H,4-10H2,1-3H3,(H,19,20)
InChIKeyUHCYYJFYPLXLBG-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.74
Rot. Bonds6

About tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate

tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate (PubChem CID 107257390) has the molecular formula C14H27F2N3O2 and a molecular weight of 307.38 g/mol. Its IUPAC name is tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate
PubChem CID107257390
Molecular FormulaC14H27F2N3O2
Molecular Weight307.38 g/mol
Exact Mass307.21
IUPAC Nametert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CNCC1CCCNC1
InChIInChI=1S/C14H27F2N3O2/c1-13(2,3)21-12(20)19-10-14(15,16)9-18-8-11-5-4-6-17-7-11/h11,17-18H,4-10H2,1-3H3,(H,19,20)
InChIKeyUHCYYJFYPLXLBG-UHFFFAOYSA-N
XLogP1.74
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]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

tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate
CID 107241698
tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate
CID 107237689
tert-butyl N-ethyl-N-[2-(piperidin-3-ylmethylamino)ethyl]carbamate
CID 107245281
tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
CID 107257366
N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide
CID 106176991
tert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate
CID 86317598
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate
CID 107249245
tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate
CID 154577118
tert-butyl N-[[(3R,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634256
tert-butyl N-[[(3S,4S)-4-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
CID 125424383
2-N,2-N,2-trimethyl-1-N-(piperidin-3-ylmethyl)propane-1,2-diamine
CID 80553591

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate (CID 107257390) is tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate is CC(C)(C)OC(=O)NCC(F)(F)CNCC1CCCNC1.
What is the InChIKey of tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate?
The InChIKey is UHCYYJFYPLXLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2N3O2/c1-13(2,3)21-12(20)19-10-14(15,16)9-18-8-11-5-4-6-17-7-11/h11,17-18H,4-10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate?
tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate has a molecular weight of 307.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate is sourced from PubChem (CID 107257390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).