tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate

C19H37N3O2 — CID 69113828

IUPACtert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate
SMILESCC(CNC1CCCCC1)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H37N3O2/c1-15(14-20-16-8-6-5-7-9-16)21-17-10-12-22(13-11-17)18(23)24-19(2,3)4/h15-17,20-21H,5-14H2,1-4H3
InChIKeyXZQLXKFLFZOFTF-UHFFFAOYSA-N
MW339.52 g/mol
LogP3.29
Rot. Bonds5

About tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate

tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate (PubChem CID 69113828) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate
PubChem CID69113828
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Nametert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate
SMILESCC(CNC1CCCCC1)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H37N3O2/c1-15(14-20-16-8-6-5-7-9-16)21-17-10-12-22(13-11-17)18(23)24-19(2,3)4/h15-17,20-21H,5-14H2,1-4H3
InChIKeyXZQLXKFLFZOFTF-UHFFFAOYSA-N
XLogP3.29
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(2-cyclopentyl-2-hydroxyethyl)amino]piperidine-1-carboxylate
CID 111755633
tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate
CID 102696916
tert-butyl 4-(2-pyrrolidin-1-ylpropylamino)azepane-1-carboxylate
CID 103982646
tert-butyl 4-(pentan-2-ylamino)azepane-1-carboxylate
CID 103980373
tert-butyl (4R)-4-[[(2R)-2-hydroxy-3,3-dimethylbutyl]amino]azepane-1-carboxylate
CID 99853636
tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
CID 79692176
tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
CID 81389556
tert-butyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]azepane-1-carboxylate
CID 106172140
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]amino]pentanoic acid
CID 107255030
tert-butyl 4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidine-1-carboxylate
CID 107442932
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate (CID 69113828) is tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate is CC(CNC1CCCCC1)NC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate?
The InChIKey is XZQLXKFLFZOFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-15(14-20-16-8-6-5-7-9-16)21-17-10-12-22(13-11-17)18(23)24-19(2,3)4/h15-17,20-21H,5-14H2,1-4H3.
What are the key properties of tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate?
tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate has a molecular weight of 339.52 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate is sourced from PubChem (CID 69113828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).