tert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate

C17H32N2O3 — CID 118264128

IUPACtert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate
SMILESCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC1CCCCC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-11-10-14(15(12-19)21-4)18-13-8-6-5-7-9-13/h13-15,18H,5-12H2,1-4H3/t14-,15+/m1/s1
InChIKeyWLRWCHSCHYZXOC-CABCVRRESA-N
MW312.45 g/mol
LogP2.93
Rot. Bonds3

About tert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate

tert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate (PubChem CID 118264128) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate
PubChem CID118264128
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate
SMILESCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC1CCCCC1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-11-10-14(15(12-19)21-4)18-13-8-6-5-7-9-13/h13-15,18H,5-12H2,1-4H3/t14-,15+/m1/s1
InChIKeyWLRWCHSCHYZXOC-CABCVRRESA-N
XLogP2.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate (CID 118264128) is tert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate is CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC1CCCCC1.
What is the InChIKey of tert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate?
The InChIKey is WLRWCHSCHYZXOC-CABCVRRESA-N. The full InChI is InChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-11-10-14(15(12-19)21-4)18-13-8-6-5-7-9-13/h13-15,18H,5-12H2,1-4H3/t14-,15+/m1/s1.
What are the key properties of tert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate?
tert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-4-(cyclohexylamino)-3-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 118264128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).