propan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate

C21H39N3O2 — CID 71025449

IUPACpropan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(C)(N2CCC(NC3CCCCC3)CC2)CC1
InChIInChI=1S/C21H39N3O2/c1-17(2)26-20(25)23-15-11-21(3,12-16-23)24-13-9-19(10-14-24)22-18-7-5-4-6-8-18/h17-19,22H,4-16H2,1-3H3
InChIKeyFHUWREJPNMSSEN-UHFFFAOYSA-N
MW365.56 g/mol
LogP3.77
Rot. Bonds4

About propan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate

propan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate (PubChem CID 71025449) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is propan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate
PubChem CID71025449
Molecular FormulaC21H39N3O2
Molecular Weight365.56 g/mol
Exact Mass365.30
IUPAC Namepropan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(C)(N2CCC(NC3CCCCC3)CC2)CC1
InChIInChI=1S/C21H39N3O2/c1-17(2)26-20(25)23-15-11-21(3,12-16-23)24-13-9-19(10-14-24)22-18-7-5-4-6-8-18/h17-19,22H,4-16H2,1-3H3
InChIKeyFHUWREJPNMSSEN-UHFFFAOYSA-N
XLogP3.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate (CID 71025449) is propan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate is CC(C)OC(=O)N1CCC(C)(N2CCC(NC3CCCCC3)CC2)CC1.
What is the InChIKey of propan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate?
The InChIKey is FHUWREJPNMSSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2/c1-17(2)26-20(25)23-15-11-21(3,12-16-23)24-13-9-19(10-14-24)22-18-7-5-4-6-8-18/h17-19,22H,4-16H2,1-3H3.
What are the key properties of propan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate?
propan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate has a molecular weight of 365.56 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 71025449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).