[1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol

C14H25F2NO — CID 164640925

IUPAC[1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol
SMILESCCCC1(CO)CCN(CC[C@H]2CC2(F)F)CC1
InChIInChI=1S/C14H25F2NO/c1-2-4-13(11-18)5-8-17(9-6-13)7-3-12-10-14(12,15)16/h12,18H,2-11H2,1H3/t12-/m0/s1
InChIKeyTUGLGOQLQOJYDB-LBPRGKRZSA-N
MW261.36 g/mol
LogP2.91
Rot. Bonds6

About [1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol

[1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol (PubChem CID 164640925) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is [1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol
PubChem CID164640925
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name[1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol
SMILESCCCC1(CO)CCN(CC[C@H]2CC2(F)F)CC1
InChIInChI=1S/C14H25F2NO/c1-2-4-13(11-18)5-8-17(9-6-13)7-3-12-10-14(12,15)16/h12,18H,2-11H2,1H3/t12-/m0/s1
InChIKeyTUGLGOQLQOJYDB-LBPRGKRZSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol?
The IUPAC name of [1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol (CID 164640925) is [1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol is CCCC1(CO)CCN(CC[C@H]2CC2(F)F)CC1.
What is the InChIKey of [1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol?
The InChIKey is TUGLGOQLQOJYDB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-2-4-13(11-18)5-8-17(9-6-13)7-3-12-10-14(12,15)16/h12,18H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of [1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol?
[1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol has a molecular weight of 261.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(1S)-2,2-difluorocyclopropyl]ethyl]-4-propylpiperidin-4-yl]methanol is sourced from PubChem (CID 164640925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).