1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine

C19H32N4 — CID 111047114

IUPAC1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
SMILESCCN(CC)/C(N)=N/Cc1ccc(CN2CCCCC2C)cc1
InChIInChI=1S/C19H32N4/c1-4-22(5-2)19(20)21-14-17-9-11-18(12-10-17)15-23-13-7-6-8-16(23)3/h9-12,16H,4-8,13-15H2,1-3H3,(H2,20,21)
InChIKeyBFDAPHSAKUTRDU-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.22
Rot. Bonds6

About 1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine

1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine (PubChem CID 111047114) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
PubChem CID111047114
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
SMILESCCN(CC)/C(N)=N/Cc1ccc(CN2CCCCC2C)cc1
InChIInChI=1S/C19H32N4/c1-4-22(5-2)19(20)21-14-17-9-11-18(12-10-17)15-23-13-7-6-8-16(23)3/h9-12,16H,4-8,13-15H2,1-3H3,(H2,20,21)
InChIKeyBFDAPHSAKUTRDU-UHFFFAOYSA-N
XLogP3.22
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,1-diethyl-2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]guanidine
CID 111053387
1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060073
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111047098
1-ethyl-3-(2-methoxyethyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110942852
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
1-(2-ethoxyethyl)-3-ethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111895190
1-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]ethanol
CID 82165998
methyl 1-[N-ethyl-N'-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111252863
3-ethyl-1-methyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109386195
1-ethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187594
2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile
CID 82135679

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
The IUPAC name of 1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine (CID 111047114) is 1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine.
What is the SMILES notation for 1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
The canonical SMILES for 1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine is CCN(CC)/C(N)=N/Cc1ccc(CN2CCCCC2C)cc1.
What is the InChIKey of 1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
The InChIKey is BFDAPHSAKUTRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-4-22(5-2)19(20)21-14-17-9-11-18(12-10-17)15-23-13-7-6-8-16(23)3/h9-12,16H,4-8,13-15H2,1-3H3,(H2,20,21).
What are the key properties of 1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine?
1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine has a molecular weight of 316.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine is sourced from PubChem (CID 111047114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).