tert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate

C18H34N2O3 — CID 143856931

IUPACtert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N[C@H]2CCCC[C@@H]2CCO)CC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-11-8-15(9-12-20)19-16-7-5-4-6-14(16)10-13-21/h14-16,19,21H,4-13H2,1-3H3/t14-,16+/m1/s1
InChIKeySATNJUCZILLJDU-ZBFHGGJFSA-N
MW326.48 g/mol
LogP2.92
Rot. Bonds4

About tert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate (PubChem CID 143856931) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate
PubChem CID143856931
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N[C@H]2CCCC[C@@H]2CCO)CC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-11-8-15(9-12-20)19-16-7-5-4-6-14(16)10-13-21/h14-16,19,21H,4-13H2,1-3H3/t14-,16+/m1/s1
InChIKeySATNJUCZILLJDU-ZBFHGGJFSA-N
XLogP2.92
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-4-cyclohexyl-2-hydroxybutyl]amino}-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate
CID 455710
tert-butyl N-[(3R)-1-cyclohexyl-4-[[(2R)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate
CID 44294557
Tert-butyl 3-(1-amino-2-hydroxyethyl)piperidine-1-carboxylate
CID 83899855
tert-butyl (2R)-4-amino-2-heptyl-5-hydroxypiperidine-1-carboxylate
CID 134835812
cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride
CID 18372792
cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate
CID 18372793
2-[1-(cyclohexylmethyl)piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate
CID 54335628
t-butyl [(1S)-1-(cyclohexylmethyl)-2-hydroxy-3-piperidinopropyl]carbamate
CID 56982890
tert-butyl N-[(2S,3S)-1-cyclohexyl-3-hydroxy-4-(methylamino)butan-2-yl]carbamate
CID 57229567
tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]amino]piperidine-1-carboxylate
CID 57855304
((1R,2S)-2-{[1-(tert-butoxycarbonyl)piperidin-4-yl]amino}cyclohexyl)acetic acid
CID 59025436
Tert-butyl 4-[[(trans)-2-(hydroxymethyl)cyclohexyl]amino]piperidine-1-carboxylate
CID 68913176

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate (CID 143856931) is tert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N[C@H]2CCCC[C@@H]2CCO)CC1.
What is the InChIKey of tert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate?
The InChIKey is SATNJUCZILLJDU-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-11-8-15(9-12-20)19-16-7-5-4-6-14(16)10-13-21/h14-16,19,21H,4-13H2,1-3H3/t14-,16+/m1/s1.
What are the key properties of tert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 143856931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).