3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine

C16H26N2 — CID 118632997

IUPAC3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
SMILESC[C@H]1CCCCN1Cc1cncc(C(C)(C)C)c1
InChIInChI=1S/C16H26N2/c1-13-7-5-6-8-18(13)12-14-9-15(11-17-10-14)16(2,3)4/h9-11,13H,5-8,12H2,1-4H3/t13-/m0/s1
InChIKeyDUDNHNBCGFSSAO-ZDUSSCGKSA-N
MW246.40 g/mol
LogP3.75
Rot. Bonds2

About 3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine

3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine (PubChem CID 118632997) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
PubChem CID118632997
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
SMILESC[C@H]1CCCCN1Cc1cncc(C(C)(C)C)c1
InChIInChI=1S/C16H26N2/c1-13-7-5-6-8-18(13)12-14-9-15(11-17-10-14)16(2,3)4/h9-11,13H,5-8,12H2,1-4H3/t13-/m0/s1
InChIKeyDUDNHNBCGFSSAO-ZDUSSCGKSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-tert-butyl-3-pyridinyl)methyl]azepane-2-carboxylic acid
CID 167861858
2,6-ditert-butyl-4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol
CID 7444975
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
1-(furan-3-ylmethyl)-2-methylpiperidine
CID 131067183
2-methyl-N-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 102879282
[4-[(2-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888634
2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
CID 95789080
2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82424724
1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine
CID 130653751
1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 23566973
[3-fluoro-5-[(2-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 79710639

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine (CID 118632997) is 3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine is C[C@H]1CCCCN1Cc1cncc(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine?
The InChIKey is DUDNHNBCGFSSAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-7-5-6-8-18(13)12-14-9-15(11-17-10-14)16(2,3)4/h9-11,13H,5-8,12H2,1-4H3/t13-/m0/s1.
What are the key properties of 3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine?
3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine has a molecular weight of 246.40 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 118632997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).