tert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate

C21H40N2O3 — CID 165476539

IUPACtert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC1C(CO)CCNC1CCCCC1
InChIInChI=1S/C21H40N2O3/c1-16-14-23(20(25)26-21(2,3)4)13-11-19(16)17(15-24)10-12-22-18-8-6-5-7-9-18/h16-19,22,24H,5-15H2,1-4H3
InChIKeyACKSHTAXUCPVGC-UHFFFAOYSA-N
MW368.56 g/mol
LogP3.80
Rot. Bonds6

About tert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate

tert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate (PubChem CID 165476539) has the molecular formula C21H40N2O3 and a molecular weight of 368.56 g/mol. Its IUPAC name is tert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate
PubChem CID165476539
Molecular FormulaC21H40N2O3
Molecular Weight368.56 g/mol
Exact Mass368.30
IUPAC Nametert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC1C(CO)CCNC1CCCCC1
InChIInChI=1S/C21H40N2O3/c1-16-14-23(20(25)26-21(2,3)4)13-11-19(16)17(15-24)10-12-22-18-8-6-5-7-9-18/h16-19,22,24H,5-15H2,1-4H3
InChIKeyACKSHTAXUCPVGC-UHFFFAOYSA-N
XLogP3.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 91335990
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CID 86311882
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 69113828
tert-butyl 4-[(2-cyclopentyl-2-hydroxyethyl)amino]piperidine-1-carboxylate
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tert-butyl (3R)-3-(3-cyclohexyloxypropylamino)pyrrolidine-1-carboxylate
CID 97236036
tert-butyl (4R)-4-(1-iodopropan-2-yl)-3-methylpiperidine-1-carboxylate
CID 171807582
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
tert-butyl 3-(4-hydroxybutylamino)piperidine-1-carboxylate
CID 106840867
tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate
CID 97056058
tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate
CID 61044256
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CID 97172112

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate (CID 165476539) is tert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CCC1C(CO)CCNC1CCCCC1.
What is the InChIKey of tert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate?
The InChIKey is ACKSHTAXUCPVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O3/c1-16-14-23(20(25)26-21(2,3)4)13-11-19(16)17(15-24)10-12-22-18-8-6-5-7-9-18/h16-19,22,24H,5-15H2,1-4H3.
What are the key properties of tert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate?
tert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate has a molecular weight of 368.56 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(cyclohexylamino)-1-hydroxybutan-2-yl]-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 165476539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).