2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol

C20H33N3O2 — CID 95135561

IUPAC2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol
SMILESCOc1cccc(CN2CCC([C@H](C)N3CCN(C)CC3)CC2)c1O
InChIInChI=1S/C20H33N3O2/c1-16(23-13-11-21(2)12-14-23)17-7-9-22(10-8-17)15-18-5-4-6-19(25-3)20(18)24/h4-6,16-17,24H,7-15H2,1-3H3/t16-/m0/s1
InChIKeyDDHOQNAHQHZBIJ-INIZCTEOSA-N
MW347.50 g/mol
LogP2.25
Rot. Bonds5

About 2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol

2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol (PubChem CID 95135561) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol
PubChem CID95135561
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol
SMILESCOc1cccc(CN2CCC([C@H](C)N3CCN(C)CC3)CC2)c1O
InChIInChI=1S/C20H33N3O2/c1-16(23-13-11-21(2)12-14-23)17-7-9-22(10-8-17)15-18-5-4-6-19(25-3)20(18)24/h4-6,16-17,24H,7-15H2,1-3H3/t16-/m0/s1
InChIKeyDDHOQNAHQHZBIJ-INIZCTEOSA-N
XLogP2.25
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
1-methyl-4-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]ethyl]piperazine
CID 70779398
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 795625
1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine
CID 95144480
4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70706548
2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol
CID 44529534
2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
CID 82962319
N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 4319711
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 82977269
2-bromo-6-[(4-propan-2-ylazepan-1-yl)methyl]phenol
CID 82981234

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol (CID 95135561) is 2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol is COc1cccc(CN2CCC([C@H](C)N3CCN(C)CC3)CC2)c1O.
What is the InChIKey of 2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol?
The InChIKey is DDHOQNAHQHZBIJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16(23-13-11-21(2)12-14-23)17-7-9-22(10-8-17)15-18-5-4-6-19(25-3)20(18)24/h4-6,16-17,24H,7-15H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol?
2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol has a molecular weight of 347.50 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 95135561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).