[1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol

C15H25N3OS — CID 45195015

IUPAC[1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(C2CCCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C15H25N3OS/c19-12-13-3-7-18(8-4-13)14-2-1-6-17(10-14)11-15-16-5-9-20-15/h5,9,13-14,19H,1-4,6-8,10-12H2
InChIKeyBNSDNGCRTBVKPW-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.81
Rot. Bonds4

About [1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol

[1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol (PubChem CID 45195015) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is [1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol
PubChem CID45195015
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name[1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(C2CCCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C15H25N3OS/c19-12-13-3-7-18(8-4-13)14-2-1-6-17(10-14)11-15-16-5-9-20-15/h5,9,13-14,19H,1-4,6-8,10-12H2
InChIKeyBNSDNGCRTBVKPW-UHFFFAOYSA-N
XLogP1.81
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 95042861
2-[4-(1,3-Thiazol-2-ylmethyl)piperidin-1-yl]ethanol
CID 95817169
2-[[2-(Oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370018
1-Methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396369
2,2,2-Trifluoro-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]ethanol
CID 112386629
2-[1-(Cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)-2-piperazinyl]ethanol
CID 45249388
5-Piperidin-1-yl-5-(1,3-thiazol-2-yl)pentan-1-ol
CID 68381747
3-Piperidin-1-yl-3-(1,3-thiazol-2-yl)propan-1-ol
CID 68381792
4-Piperidin-1-yl-4-(1,3-thiazol-2-yl)butan-1-ol
CID 68381815
2-Piperidin-4-yl-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanol
CID 69378178
2-[1-(Oxan-4-yl)piperidin-4-yl]-1,3-thiazole
CID 176173740
4-[1-(1,3-Thiazol-2-ylmethyl)-3-piperidinyl]morpholine
CID 45236744

Frequently Asked Questions

What is the IUPAC name of [1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol (CID 45195015) is [1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol is OCC1CCN(C2CCCN(Cc3nccs3)C2)CC1.
What is the InChIKey of [1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol?
The InChIKey is BNSDNGCRTBVKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c19-12-13-3-7-18(8-4-13)14-2-1-6-17(10-14)11-15-16-5-9-20-15/h5,9,13-14,19H,1-4,6-8,10-12H2.
What are the key properties of [1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol?
[1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol has a molecular weight of 295.45 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 45195015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).