2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol

C19H31N3O2 — CID 170870620

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol
SMILESCN1CCN(Cc2cc(CCCN3CCOCC3)ccc2O)CC1
InChIInChI=1S/C19H31N3O2/c1-20-7-9-22(10-8-20)16-18-15-17(4-5-19(18)23)3-2-6-21-11-13-24-14-12-21/h4-5,15,23H,2-3,6-14,16H2,1H3
InChIKeyPTQWRLDULCMMGT-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.40
Rot. Bonds6

About 2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol

2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol (PubChem CID 170870620) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol
PubChem CID170870620
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol
SMILESCN1CCN(Cc2cc(CCCN3CCOCC3)ccc2O)CC1
InChIInChI=1S/C19H31N3O2/c1-20-7-9-22(10-8-20)16-18-15-17(4-5-19(18)23)3-2-6-21-11-13-24-14-12-21/h4-5,15,23H,2-3,6-14,16H2,1H3
InChIKeyPTQWRLDULCMMGT-UHFFFAOYSA-N
XLogP1.40
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.40
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

4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol
CID 170866768
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
CID 170869835
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-bromo-2-[(4-methylpiperazin-1-yl)methyl]phenol
CID 46840105
4-bromo-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862276
1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine
CID 170863628
4-tert-butyl-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862690

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol (CID 170870620) is 2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol is CN1CCN(Cc2cc(CCCN3CCOCC3)ccc2O)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol?
The InChIKey is PTQWRLDULCMMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-20-7-9-22(10-8-20)16-18-15-17(4-5-19(18)23)3-2-6-21-11-13-24-14-12-21/h4-5,15,23H,2-3,6-14,16H2,1H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol?
2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol has a molecular weight of 333.48 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol is sourced from PubChem (CID 170870620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).