tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate

C22H41N3O2 — CID 70971562

IUPACtert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(N2CCC(NC3CCCCC3)CC2)CC1
InChIInChI=1S/C22H41N3O2/c1-21(2,3)27-20(26)24-16-12-22(4,13-17-24)25-14-10-19(11-15-25)23-18-8-6-5-7-9-18/h18-19,23H,5-17H2,1-4H3
InChIKeyNMIRRHBIJZBXAC-UHFFFAOYSA-N
MW379.59 g/mol
LogP4.16
Rot. Bonds3

About tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate (PubChem CID 70971562) has the molecular formula C22H41N3O2 and a molecular weight of 379.59 g/mol. Its IUPAC name is tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate
PubChem CID70971562
Molecular FormulaC22H41N3O2
Molecular Weight379.59 g/mol
Exact Mass379.32
IUPAC Nametert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(N2CCC(NC3CCCCC3)CC2)CC1
InChIInChI=1S/C22H41N3O2/c1-21(2,3)27-20(26)24-16-12-22(4,13-17-24)25-14-10-19(11-15-25)23-18-8-6-5-7-9-18/h18-19,23H,5-17H2,1-4H3
InChIKeyNMIRRHBIJZBXAC-UHFFFAOYSA-N
XLogP4.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate (CID 70971562) is tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C)(N2CCC(NC3CCCCC3)CC2)CC1.
What is the InChIKey of tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate?
The InChIKey is NMIRRHBIJZBXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O2/c1-21(2,3)27-20(26)24-16-12-22(4,13-17-24)25-14-10-19(11-15-25)23-18-8-6-5-7-9-18/h18-19,23H,5-17H2,1-4H3.
What are the key properties of tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate has a molecular weight of 379.59 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 70971562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).