tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate

C14H28N2O2 — CID 123134891

IUPACtert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate
SMILESCC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N
InChIInChI=1S/C14H28N2O2/c1-10(2)8-11-9-16(7-6-12(11)15)13(17)18-14(3,4)5/h10-12H,6-9,15H2,1-5H3/t11-,12+/m0/s1
InChIKeyCXWDZZQQRMIJGA-NWDGAFQWSA-N
MW256.39 g/mol
LogP2.62
Rot. Bonds2

About tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate

tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate (PubChem CID 123134891) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate
PubChem CID123134891
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate
SMILESCC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N
InChIInChI=1S/C14H28N2O2/c1-10(2)8-11-9-16(7-6-12(11)15)13(17)18-14(3,4)5/h10-12H,6-9,15H2,1-5H3/t11-,12+/m0/s1
InChIKeyCXWDZZQQRMIJGA-NWDGAFQWSA-N
XLogP2.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231
tert-butyl 4-amino-3-(2,2,2-trifluoroethyl)piperidine-1-carboxylate
CID 84812421
tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate
CID 76844460
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate
CID 75355534
tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 86648467
tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate
CID 114451997
tert-butyl 4-[(3-hydroxycyclobutyl)methylamino]-3-(2-methylpropyl)piperidine-1-carboxylate
CID 138015576
tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate
CID 155905077
tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972
tert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 115050990
tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate
CID 86648776

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate (CID 123134891) is tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate is CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N.
What is the InChIKey of tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate?
The InChIKey is CXWDZZQQRMIJGA-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)8-11-9-16(7-6-12(11)15)13(17)18-14(3,4)5/h10-12H,6-9,15H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate?
tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 123134891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).