(1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol

C12H20FNO — CID 176663801

IUPAC(1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol
SMILESC[C@H](O)C1(CN2CCC(=CF)CC2)CC1
InChIInChI=1S/C12H20FNO/c1-10(15)12(4-5-12)9-14-6-2-11(8-13)3-7-14/h8,10,15H,2-7,9H2,1H3/t10-/m0/s1
InChIKeySILUSLASGPBEDA-JTQLQIEISA-N
MW213.30 g/mol
LogP2.10
Rot. Bonds3

About (1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol

(1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol (PubChem CID 176663801) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is (1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol
PubChem CID176663801
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name(1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol
SMILESC[C@H](O)C1(CN2CCC(=CF)CC2)CC1
InChIInChI=1S/C12H20FNO/c1-10(15)12(4-5-12)9-14-6-2-11(8-13)3-7-14/h8,10,15H,2-7,9H2,1H3/t10-/m0/s1
InChIKeySILUSLASGPBEDA-JTQLQIEISA-N
XLogP2.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol?
The IUPAC name of (1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol (CID 176663801) is (1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol.
What is the SMILES notation for (1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol?
The canonical SMILES for (1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol is C[C@H](O)C1(CN2CCC(=CF)CC2)CC1.
What is the InChIKey of (1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol?
The InChIKey is SILUSLASGPBEDA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20FNO/c1-10(15)12(4-5-12)9-14-6-2-11(8-13)3-7-14/h8,10,15H,2-7,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol?
(1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol has a molecular weight of 213.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 176663801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).