1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine

C18H33F3N4 — CID 111993711

IUPAC1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CCC(F)(F)F)NC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H33F3N4/c1-2-22-17(23-11-10-18(19,20)21)24-16-8-12-25(13-9-16)14-15-6-4-3-5-7-15/h15-16H,2-14H2,1H3,(H2,22,23,24)
InChIKeyDNICXDVFIVSEJM-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.54
Rot. Bonds6

About 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine

1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine (PubChem CID 111993711) has the molecular formula C18H33F3N4 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
PubChem CID111993711
Molecular FormulaC18H33F3N4
Molecular Weight362.48 g/mol
Exact Mass362.27
IUPAC Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
SMILESCCN/C(=N\CCC(F)(F)F)NC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H33F3N4/c1-2-22-17(23-11-10-18(19,20)21)24-16-8-12-25(13-9-16)14-15-6-4-3-5-7-15/h15-16H,2-14H2,1H3,(H2,22,23,24)
InChIKeyDNICXDVFIVSEJM-UHFFFAOYSA-N
XLogP3.54
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine (CID 111993711) is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine is CCN/C(=N\CCC(F)(F)F)NC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is DNICXDVFIVSEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F3N4/c1-2-22-17(23-11-10-18(19,20)21)24-16-8-12-25(13-9-16)14-15-6-4-3-5-7-15/h15-16H,2-14H2,1H3,(H2,22,23,24).
What are the key properties of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine?
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 362.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 111993711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).