3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol

C14H25N3OS — CID 71875766

IUPAC3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol
SMILESCc1ncc(CN2CCC(N(C)CCCO)CC2)s1
InChIInChI=1S/C14H25N3OS/c1-12-15-10-14(19-12)11-17-7-4-13(5-8-17)16(2)6-3-9-18/h10,13,18H,3-9,11H2,1-2H3
InChIKeyPDIZVFMIMVVXSA-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.73
Rot. Bonds6

About 3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol

3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol (PubChem CID 71875766) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol
PubChem CID71875766
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol
SMILESCc1ncc(CN2CCC(N(C)CCCO)CC2)s1
InChIInChI=1S/C14H25N3OS/c1-12-15-10-14(19-12)11-17-7-4-13(5-8-17)16(2)6-3-9-18/h10,13,18H,3-9,11H2,1-2H3
InChIKeyPDIZVFMIMVVXSA-UHFFFAOYSA-N
XLogP1.73
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol (CID 71875766) is 3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol is Cc1ncc(CN2CCC(N(C)CCCO)CC2)s1.
What is the InChIKey of 3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol?
The InChIKey is PDIZVFMIMVVXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-12-15-10-14(19-12)11-17-7-4-13(5-8-17)16(2)6-3-9-18/h10,13,18H,3-9,11H2,1-2H3.
What are the key properties of 3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol?
3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 71875766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).