2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol

C19H25N3O2 — CID 163366722

IUPAC2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCc2ccnc(N3CCCCC3)c2)cc1O
InChIInChI=1S/C19H25N3O2/c1-24-18-6-5-15(11-17(18)23)13-20-14-16-7-8-21-19(12-16)22-9-3-2-4-10-22/h5-8,11-12,20,23H,2-4,9-10,13-14H2,1H3
InChIKeyQVXAOSQWVFOLDK-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.08
Rot. Bonds6

About 2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol

2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol (PubChem CID 163366722) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol
PubChem CID163366722
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCc2ccnc(N3CCCCC3)c2)cc1O
InChIInChI=1S/C19H25N3O2/c1-24-18-6-5-15(11-17(18)23)13-20-14-16-7-8-21-19(12-16)22-9-3-2-4-10-22/h5-8,11-12,20,23H,2-4,9-10,13-14H2,1H3
InChIKeyQVXAOSQWVFOLDK-UHFFFAOYSA-N
XLogP3.08
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanamine
CID 119125453
N-[(2-methoxy-6-methylphenyl)methyl]-1-(2-piperidin-1-yl-4-pyridinyl)methanamine
CID 163366731
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine
CID 47030593
1-(3,4-dimethoxyphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]methanamine
CID 38048685
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
4-[[[2-(azepan-1-yl)-4-pyridinyl]methylamino]methyl]benzonitrile
CID 119125452
2-[(3,4-dimethoxyphenyl)methyl]-1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111041440
1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine
CID 163367035
3-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethylguanidine
CID 111983995
1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2,3-diethoxyphenyl)methyl]methanamine
CID 163367052
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111762016

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol (CID 163366722) is 2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol is COc1ccc(CNCc2ccnc(N3CCCCC3)c2)cc1O.
What is the InChIKey of 2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol?
The InChIKey is QVXAOSQWVFOLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-24-18-6-5-15(11-17(18)23)13-20-14-16-7-8-21-19(12-16)22-9-3-2-4-10-22/h5-8,11-12,20,23H,2-4,9-10,13-14H2,1H3.
What are the key properties of 2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol?
2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol has a molecular weight of 327.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol is sourced from PubChem (CID 163366722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).