2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol

C14H28N2O2 — CID 170569588

IUPAC2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol
SMILESC=C(C)NC(O)CN1CCC(CCCOC)CC1
InChIInChI=1S/C14H28N2O2/c1-12(2)15-14(17)11-16-8-6-13(7-9-16)5-4-10-18-3/h13-15,17H,1,4-11H2,2-3H3
InChIKeyLZWXDQJSLPPZDQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.57
Rot. Bonds8

About 2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol

2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol (PubChem CID 170569588) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol.

Molecular Properties

Compound Name2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol
PubChem CID170569588
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol
SMILESC=C(C)NC(O)CN1CCC(CCCOC)CC1
InChIInChI=1S/C14H28N2O2/c1-12(2)15-14(17)11-16-8-6-13(7-9-16)5-4-10-18-3/h13-15,17H,1,4-11H2,2-3H3
InChIKeyLZWXDQJSLPPZDQ-UHFFFAOYSA-N
XLogP1.57
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol?
The IUPAC name of 2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol (CID 170569588) is 2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol.
What is the SMILES notation for 2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol?
The canonical SMILES for 2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol is C=C(C)NC(O)CN1CCC(CCCOC)CC1.
What is the InChIKey of 2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol?
The InChIKey is LZWXDQJSLPPZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)15-14(17)11-16-8-6-13(7-9-16)5-4-10-18-3/h13-15,17H,1,4-11H2,2-3H3.
What are the key properties of 2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol?
2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol has a molecular weight of 256.39 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol is sourced from PubChem (CID 170569588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).