tert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid

C19H36N2O3 — CID 66739757

IUPACtert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid
SMILESCCCOC1CCC(N2CCC(N(C(=O)O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H36N2O3/c1-5-14-24-17-8-6-15(7-9-17)20-12-10-16(11-13-20)21(18(22)23)19(2,3)4/h15-17H,5-14H2,1-4H3,(H,22,23)
InChIKeyZCONFOYZKZVEHI-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.97
Rot. Bonds5

About tert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid

tert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid (PubChem CID 66739757) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is tert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid
PubChem CID66739757
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Nametert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid
SMILESCCCOC1CCC(N2CCC(N(C(=O)O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H36N2O3/c1-5-14-24-17-8-6-15(7-9-17)20-12-10-16(11-13-20)21(18(22)23)19(2,3)4/h15-17H,5-14H2,1-4H3,(H,22,23)
InChIKeyZCONFOYZKZVEHI-UHFFFAOYSA-N
XLogP3.97
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid
CID 66868621
2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one
CID 119321488
4-propoxypiperidine-1-carbothioic S-acid
CID 169214588
1-methyl-4-(4-propoxypiperidin-1-yl)piperidine
CID 169029222
tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid
CID 67126555
[1-(4-ethoxycyclohexyl)piperidin-4-yl]carbamic acid
CID 66741641
4-(4-propoxyazepane-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120673560
4-butoxypiperidine-1-carboxylic acid
CID 69380286
tert-butyl N-[1-(4-ethoxycyclohexyl)piperidin-4-yl]carbamate
CID 159168644
2-(4-propoxyazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 119184663
tert-butyl-(3-morpholin-4-ylcyclobutyl)carbamic acid
CID 175312691
2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid
CID 65299943

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid (CID 66739757) is tert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid is CCCOC1CCC(N2CCC(N(C(=O)O)C(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid?
The InChIKey is ZCONFOYZKZVEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-5-14-24-17-8-6-15(7-9-17)20-12-10-16(11-13-20)21(18(22)23)19(2,3)4/h15-17H,5-14H2,1-4H3,(H,22,23).
What are the key properties of tert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid?
tert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid has a molecular weight of 340.51 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(4-propoxycyclohexyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66739757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).