N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine

C14H23N3O — CID 95846447

IUPACN-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
SMILESCOCCNc1ccc(C[C@H]2CCCNC2)cn1
InChIInChI=1S/C14H23N3O/c1-18-8-7-16-14-5-4-13(11-17-14)9-12-3-2-6-15-10-12/h4-5,11-12,15H,2-3,6-10H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyHOPGJQRVJIPUPS-GFCCVEGCSA-N
MW249.36 g/mol
LogP1.68
Rot. Bonds6

About N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine

N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine (PubChem CID 95846447) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
PubChem CID95846447
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
SMILESCOCCNc1ccc(C[C@H]2CCCNC2)cn1
InChIInChI=1S/C14H23N3O/c1-18-8-7-16-14-5-4-13(11-17-14)9-12-3-2-6-15-10-12/h4-5,11-12,15H,2-3,6-10H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyHOPGJQRVJIPUPS-GFCCVEGCSA-N
XLogP1.68
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-pyridin-4-ylethyl)-5-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 110257850
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
2-(2-methylpyrazol-3-yl)-5-(piperidin-3-ylmethyl)pyridine
CID 110102100
(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 95458543
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
2-N-(2-methoxyethyl)-6-methyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 110277893
2-methoxy-N-[4-(piperidin-3-ylmethyl)phenyl]acetamide
CID 82260310
N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 175657002
1-methoxy-7-(piperidin-3-ylmethyl)isoquinoline
CID 117394492
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine (CID 95846447) is N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine is COCCNc1ccc(C[C@H]2CCCNC2)cn1.
What is the InChIKey of N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is HOPGJQRVJIPUPS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O/c1-18-8-7-16-14-5-4-13(11-17-14)9-12-3-2-6-15-10-12/h4-5,11-12,15H,2-3,6-10H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine?
N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 95846447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).