(1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol

C17H32N2O — CID 166682565

IUPAC(1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol
SMILESCCC(/C=C\C(=C/N)N1CCC([C@H](C)O)CC1)C(C)C
InChIInChI=1S/C17H32N2O/c1-5-15(13(2)3)6-7-17(12-18)19-10-8-16(9-11-19)14(4)20/h6-7,12-16,20H,5,8-11,18H2,1-4H3/b7-6-,17-12+/t14-,15?/m0/s1
InChIKeyGONOIGQTPBVSPM-BYBDTNKXSA-N
MW280.46 g/mol
LogP3.12
Rot. Bonds6

About (1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol

(1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol (PubChem CID 166682565) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is (1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol
PubChem CID166682565
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name(1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol
SMILESCCC(/C=C\C(=C/N)N1CCC([C@H](C)O)CC1)C(C)C
InChIInChI=1S/C17H32N2O/c1-5-15(13(2)3)6-7-17(12-18)19-10-8-16(9-11-19)14(4)20/h6-7,12-16,20H,5,8-11,18H2,1-4H3/b7-6-,17-12+/t14-,15?/m0/s1
InChIKeyGONOIGQTPBVSPM-BYBDTNKXSA-N
XLogP3.12
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol (CID 166682565) is (1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol is CCC(/C=C\C(=C/N)N1CCC([C@H](C)O)CC1)C(C)C.
What is the InChIKey of (1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol?
The InChIKey is GONOIGQTPBVSPM-BYBDTNKXSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-15(13(2)3)6-7-17(12-18)19-10-8-16(9-11-19)14(4)20/h6-7,12-16,20H,5,8-11,18H2,1-4H3/b7-6-,17-12+/t14-,15?/m0/s1.
What are the key properties of (1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol?
(1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol has a molecular weight of 280.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(1E,3Z)-1-amino-5-ethyl-6-methylhepta-1,3-dien-2-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 166682565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).