(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine

C14H25F2N3 — CID 145230027

IUPAC(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine
SMILESCC(C)/C(N)=C/NC1CCN(C2CC(F)(F)C2)CC1
InChIInChI=1S/C14H25F2N3/c1-10(2)13(17)9-18-11-3-5-19(6-4-11)12-7-14(15,16)8-12/h9-12,18H,3-8,17H2,1-2H3/b13-9-
InChIKeySCMQUHLSDTWODH-LCYFTJDESA-N
MW273.37 g/mol
LogP2.29
Rot. Bonds4

About (Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine

(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine (PubChem CID 145230027) has the molecular formula C14H25F2N3 and a molecular weight of 273.37 g/mol. Its IUPAC name is (Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine
PubChem CID145230027
Molecular FormulaC14H25F2N3
Molecular Weight273.37 g/mol
Exact Mass273.20
IUPAC Name(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine
SMILESCC(C)/C(N)=C/NC1CCN(C2CC(F)(F)C2)CC1
InChIInChI=1S/C14H25F2N3/c1-10(2)13(17)9-18-11-3-5-19(6-4-11)12-7-14(15,16)8-12/h9-12,18H,3-8,17H2,1-2H3/b13-9-
InChIKeySCMQUHLSDTWODH-LCYFTJDESA-N
XLogP2.29
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine (CID 145230027) is (Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine is CC(C)/C(N)=C/NC1CCN(C2CC(F)(F)C2)CC1.
What is the InChIKey of (Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine?
The InChIKey is SCMQUHLSDTWODH-LCYFTJDESA-N. The full InChI is InChI=1S/C14H25F2N3/c1-10(2)13(17)9-18-11-3-5-19(6-4-11)12-7-14(15,16)8-12/h9-12,18H,3-8,17H2,1-2H3/b13-9-.
What are the key properties of (Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine?
(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine has a molecular weight of 273.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine is sourced from PubChem (CID 145230027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).