4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine

C12H18N2O — CID 94403087

IUPAC4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine
SMILESc1cc(COC[C@H]2CCCNC2)ccn1
InChIInChI=1S/C12H18N2O/c1-2-12(8-14-5-1)10-15-9-11-3-6-13-7-4-11/h3-4,6-7,12,14H,1-2,5,8-10H2/t12-/m0/s1
InChIKeyJJVPGVWEWWUBAG-LBPRGKRZSA-N
MW206.29 g/mol
LogP1.60
Rot. Bonds4

About 4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine

4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine (PubChem CID 94403087) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine.

Molecular Properties

Compound Name4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine
PubChem CID94403087
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine
SMILESc1cc(COC[C@H]2CCCNC2)ccn1
InChIInChI=1S/C12H18N2O/c1-2-12(8-14-5-1)10-15-9-11-3-6-13-7-4-11/h3-4,6-7,12,14H,1-2,5,8-10H2/t12-/m0/s1
InChIKeyJJVPGVWEWWUBAG-LBPRGKRZSA-N
XLogP1.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(4-methylphenyl)methoxymethyl]piperidine
CID 26190607
(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
CID 35754092
4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile
CID 63880785
4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
CID 71637005
3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine
CID 55060808
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
3-[(1-methylpyrazol-4-yl)methoxymethyl]piperidine
CID 62340735
6-(piperidin-3-ylmethoxymethyl)quinoline
CID 55060712
4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
CID 71637002
3-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526
2-chloro-3-(piperidin-3-ylmethoxymethyl)pyrazine
CID 71640652
3-(furan-2-ylmethoxymethyl)piperidine
CID 24692949

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine?
The IUPAC name of 4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine (CID 94403087) is 4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine.
What is the SMILES notation for 4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine?
The canonical SMILES for 4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine is c1cc(COC[C@H]2CCCNC2)ccn1.
What is the InChIKey of 4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine?
The InChIKey is JJVPGVWEWWUBAG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-12(8-14-5-1)10-15-9-11-3-6-13-7-4-11/h3-4,6-7,12,14H,1-2,5,8-10H2/t12-/m0/s1.
What are the key properties of 4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine?
4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine has a molecular weight of 206.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine is sourced from PubChem (CID 94403087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).