[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol

C17H29N3O — CID 80631004

IUPAC[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
SMILESCc1cc(CNC(C)(C)C)cnc1N1CCCC(CO)C1
InChIInChI=1S/C17H29N3O/c1-13-8-15(10-19-17(2,3)4)9-18-16(13)20-7-5-6-14(11-20)12-21/h8-9,14,19,21H,5-7,10-12H2,1-4H3
InChIKeyZTEFNKAYTPSHGH-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.49
Rot. Bonds4

About [1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol

[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol (PubChem CID 80631004) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is [1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
PubChem CID80631004
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
SMILESCc1cc(CNC(C)(C)C)cnc1N1CCCC(CO)C1
InChIInChI=1S/C17H29N3O/c1-13-8-15(10-19-17(2,3)4)9-18-16(13)20-7-5-6-14(11-20)12-21/h8-9,14,19,21H,5-7,10-12H2,1-4H3
InChIKeyZTEFNKAYTPSHGH-UHFFFAOYSA-N
XLogP2.49
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol (CID 80631004) is [1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol is Cc1cc(CNC(C)(C)C)cnc1N1CCCC(CO)C1.
What is the InChIKey of [1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol?
The InChIKey is ZTEFNKAYTPSHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-8-15(10-19-17(2,3)4)9-18-16(13)20-7-5-6-14(11-20)12-21/h8-9,14,19,21H,5-7,10-12H2,1-4H3.
What are the key properties of [1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol?
[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol has a molecular weight of 291.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol is sourced from PubChem (CID 80631004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).