4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol

C16H24N2O — CID 176922218

IUPAC4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol
SMILESC/C(=C/CC1CCNCC1)N(C)c1ccc(O)cc1
InChIInChI=1S/C16H24N2O/c1-13(3-4-14-9-11-17-12-10-14)18(2)15-5-7-16(19)8-6-15/h3,5-8,14,17,19H,4,9-12H2,1-2H3/b13-3-
InChIKeyXXHGPEWZWGSGPN-DXNYSGJVSA-N
MW260.38 g/mol
LogP3.12
Rot. Bonds4

About 4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol

4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol (PubChem CID 176922218) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol
PubChem CID176922218
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol
SMILESC/C(=C/CC1CCNCC1)N(C)c1ccc(O)cc1
InChIInChI=1S/C16H24N2O/c1-13(3-4-14-9-11-17-12-10-14)18(2)15-5-7-16(19)8-6-15/h3,5-8,14,17,19H,4,9-12H2,1-2H3/b13-3-
InChIKeyXXHGPEWZWGSGPN-DXNYSGJVSA-N
XLogP3.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol?
The IUPAC name of 4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol (CID 176922218) is 4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol.
What is the SMILES notation for 4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol?
The canonical SMILES for 4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol is C/C(=C/CC1CCNCC1)N(C)c1ccc(O)cc1.
What is the InChIKey of 4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol?
The InChIKey is XXHGPEWZWGSGPN-DXNYSGJVSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(3-4-14-9-11-17-12-10-14)18(2)15-5-7-16(19)8-6-15/h3,5-8,14,17,19H,4,9-12H2,1-2H3/b13-3-.
What are the key properties of 4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol?
4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol has a molecular weight of 260.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(Z)-4-piperidin-4-ylbut-2-en-2-yl]amino]phenol is sourced from PubChem (CID 176922218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).