(2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine

C14H24N2 — CID 167227965

IUPAC(2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine
SMILESCC(C)[C@]1(C)CC=C(C2CCNCC2)C=N1
InChIInChI=1S/C14H24N2/c1-11(2)14(3)7-4-13(10-16-14)12-5-8-15-9-6-12/h4,10-12,15H,5-9H2,1-3H3/t14-/m0/s1
InChIKeyVDRAQXNXNFDDRX-AWEZNQCLSA-N
MW220.36 g/mol
LogP2.80
Rot. Bonds2

About (2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine

(2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine (PubChem CID 167227965) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine.

Molecular Properties

Compound Name(2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine
PubChem CID167227965
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine
SMILESCC(C)[C@]1(C)CC=C(C2CCNCC2)C=N1
InChIInChI=1S/C14H24N2/c1-11(2)14(3)7-4-13(10-16-14)12-5-8-15-9-6-12/h4,10-12,15H,5-9H2,1-3H3/t14-/m0/s1
InChIKeyVDRAQXNXNFDDRX-AWEZNQCLSA-N
XLogP2.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine?
The IUPAC name of (2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine (CID 167227965) is (2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine.
What is the SMILES notation for (2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine?
The canonical SMILES for (2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine is CC(C)[C@]1(C)CC=C(C2CCNCC2)C=N1.
What is the InChIKey of (2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine?
The InChIKey is VDRAQXNXNFDDRX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)14(3)7-4-13(10-16-14)12-5-8-15-9-6-12/h4,10-12,15H,5-9H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine?
(2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine has a molecular weight of 220.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-5-piperidin-4-yl-2-propan-2-yl-3H-pyridine is sourced from PubChem (CID 167227965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).