tert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate

C19H36N2O3 — CID 138015576

IUPACtert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate
SMILESCC(C)CC1CN(C(=O)OC(C)(C)C)CCC1NCC1CC(O)C1
InChIInChI=1S/C19H36N2O3/c1-13(2)8-15-12-21(18(23)24-19(3,4)5)7-6-17(15)20-11-14-9-16(22)10-14/h13-17,20,22H,6-12H2,1-5H3
InChIKeyDVDUATHCZHMXFM-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.02
Rot. Bonds5

About tert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate

tert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate (PubChem CID 138015576) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is tert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate
PubChem CID138015576
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Nametert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate
SMILESCC(C)CC1CN(C(=O)OC(C)(C)C)CCC1NCC1CC(O)C1
InChIInChI=1S/C19H36N2O3/c1-13(2)8-15-12-21(18(23)24-19(3,4)5)7-6-17(15)20-11-14-9-16(22)10-14/h13-17,20,22H,6-12H2,1-5H3
InChIKeyDVDUATHCZHMXFM-UHFFFAOYSA-N
XLogP3.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate
CID 123134891
tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate
CID 114451997
4-(cyclopropylmethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride
CID 154574961
tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate
CID 97226565
tert-butyl 3-[(5-methylhexan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104538164
tert-butyl 4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]piperidine-1-carboxylate
CID 103766002
tert-butyl 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]piperidine-1-carboxylate
CID 107241575
1-O-tert-butyl 3-O-ethyl (3R,4R)-4-(cyclopropylmethylamino)piperidine-1,3-dicarboxylate
CID 129493476
tert-butyl 3-[[(2-hydroxycyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 103680177
tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104530942
tert-butyl 3-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 104530945
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate (CID 138015576) is tert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate is CC(C)CC1CN(C(=O)OC(C)(C)C)CCC1NCC1CC(O)C1.
What is the InChIKey of tert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate?
The InChIKey is DVDUATHCZHMXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-13(2)8-15-12-21(18(23)24-19(3,4)5)7-6-17(15)20-11-14-9-16(22)10-14/h13-17,20,22H,6-12H2,1-5H3.
What are the key properties of tert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate?
tert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate has a molecular weight of 340.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 138015576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).