3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol

C14H27FN2O — CID 163267548

IUPAC3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol
SMILESCC(C)N(CC1CC(O)C1)CC1(F)CCNCC1
InChIInChI=1S/C14H27FN2O/c1-11(2)17(9-12-7-13(18)8-12)10-14(15)3-5-16-6-4-14/h11-13,16,18H,3-10H2,1-2H3
InChIKeyOKGFFBLRUZOFRH-UHFFFAOYSA-N
MW258.38 g/mol
LogP1.56
Rot. Bonds5

About 3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol

3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol (PubChem CID 163267548) has the molecular formula C14H27FN2O and a molecular weight of 258.38 g/mol. Its IUPAC name is 3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol
PubChem CID163267548
Molecular FormulaC14H27FN2O
Molecular Weight258.38 g/mol
Exact Mass258.21
IUPAC Name3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol
SMILESCC(C)N(CC1CC(O)C1)CC1(F)CCNCC1
InChIInChI=1S/C14H27FN2O/c1-11(2)17(9-12-7-13(18)8-12)10-14(15)3-5-16-6-4-14/h11-13,16,18H,3-10H2,1-2H3
InChIKeyOKGFFBLRUZOFRH-UHFFFAOYSA-N
XLogP1.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

Hydroxyethyl piperazine-2-ethane
CID 140201774
3-[[Piperidin-1-ium-4-ylmethyl(2,2,2-trifluoroethyl)amino]methyl]cyclobutan-1-ol
CID 163267843
1-(3-Fluoropiperidin-4-yl)ethanol
CID 178035000
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-4-yl]methanol
CID 61648235
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methanol
CID 61648236
1,1,1-Trifluoro-3-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63899868
1,1,1-Trifluoro-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 63900389
3-[4-[1-(Ethylamino)ethyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 63900390
1,1,1-Trifluoro-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 63900391
3-(Methylamino)-4-[4-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65533676
3-(Ethylamino)-4-[4-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65535822
3-(Propylamino)-4-[4-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65536223

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol (CID 163267548) is 3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol is CC(C)N(CC1CC(O)C1)CC1(F)CCNCC1.
What is the InChIKey of 3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol?
The InChIKey is OKGFFBLRUZOFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O/c1-11(2)17(9-12-7-13(18)8-12)10-14(15)3-5-16-6-4-14/h11-13,16,18H,3-10H2,1-2H3.
What are the key properties of 3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol?
3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol has a molecular weight of 258.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-fluoropiperidin-4-yl)methyl-propan-2-ylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 163267548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).