2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol

C14H26N2O — CID 139481911

IUPAC2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol
SMILESC=C(CC)[C@H]1C[C@@H]1NC1CCN(CCO)CC1
InChIInChI=1S/C14H26N2O/c1-3-11(2)13-10-14(13)15-12-4-6-16(7-5-12)8-9-17/h12-15,17H,2-10H2,1H3/t13-,14+/m1/s1
InChIKeyQNLWTPBQLJFGEX-KGLIPLIRSA-N
MW238.37 g/mol
LogP1.39
Rot. Bonds6

About 2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol

2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol (PubChem CID 139481911) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol
PubChem CID139481911
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol
SMILESC=C(CC)[C@H]1C[C@@H]1NC1CCN(CCO)CC1
InChIInChI=1S/C14H26N2O/c1-3-11(2)13-10-14(13)15-12-4-6-16(7-5-12)8-9-17/h12-15,17H,2-10H2,1H3/t13-,14+/m1/s1
InChIKeyQNLWTPBQLJFGEX-KGLIPLIRSA-N
XLogP1.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol (CID 139481911) is 2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol is C=C(CC)[C@H]1C[C@@H]1NC1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol?
The InChIKey is QNLWTPBQLJFGEX-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-11(2)13-10-14(13)15-12-4-6-16(7-5-12)8-9-17/h12-15,17H,2-10H2,1H3/t13-,14+/m1/s1.
What are the key properties of 2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol?
2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol has a molecular weight of 238.37 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1S,2R)-2-but-1-en-2-ylcyclopropyl]amino]piperidin-1-yl]ethanol is sourced from PubChem (CID 139481911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).