tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate

C19H36N2O2 — CID 103724491

IUPACtert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate
SMILESCCCNC1CCCCC1C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H36N2O2/c1-5-13-20-16-11-7-6-10-15(16)17-12-8-9-14-21(17)18(22)23-19(2,3)4/h15-17,20H,5-14H2,1-4H3
InChIKeyMBADXKLAQQSCLS-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.33
Rot. Bonds4

About tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate

tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate (PubChem CID 103724491) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate
PubChem CID103724491
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nametert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate
SMILESCCCNC1CCCCC1C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H36N2O2/c1-5-13-20-16-11-7-6-10-15(16)17-12-8-9-14-21(17)18(22)23-19(2,3)4/h15-17,20H,5-14H2,1-4H3
InChIKeyMBADXKLAQQSCLS-UHFFFAOYSA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[2-(ethylamino)cyclohexyl]piperidine-1-carboxylate
CID 103724492
tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate
CID 103724497
tert-butyl 2-[2-(ethylamino)cyclopentyl]piperidine-1-carboxylate
CID 79537863
tert-butyl 2-[2-(2-methylprop-2-enylamino)cyclohexyl]pyrrolidine-1-carboxylate
CID 104940083
tert-butyl 2-(propylamino)piperidine-1-carboxylate
CID 141154909
tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate
CID 113248728
tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate
CID 113248734
tert-butyl 2-[2-(heptan-2-ylamino)cyclopentyl]pyrrolidine-1-carboxylate
CID 113248518
tert-butyl 2-[2-(2,2,2-trifluoroethoxyamino)cyclopentyl]pyrrolidine-1-carboxylate
CID 113341796
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl (2S)-2-[(1R,2S)-2-aminocyclohexyl]pyrrolidine-1-carboxylate
CID 97159702
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate (CID 103724491) is tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate is CCCNC1CCCCC1C1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate?
The InChIKey is MBADXKLAQQSCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-5-13-20-16-11-7-6-10-15(16)17-12-8-9-14-21(17)18(22)23-19(2,3)4/h15-17,20H,5-14H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate?
tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate has a molecular weight of 324.51 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate is sourced from PubChem (CID 103724491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).