1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine

C20H35N5O — CID 111838042

IUPAC1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ccc(C/N=C(\NCC)NC2CCN(C(C)C)CC2)cn1
InChIInChI=1S/C20H35N5O/c1-5-13-26-19-8-7-17(14-22-19)15-23-20(21-6-2)24-18-9-11-25(12-10-18)16(3)4/h7-8,14,16,18H,5-6,9-13,15H2,1-4H3,(H2,21,23,24)
InChIKeyCUIIUSNSALAYJU-UHFFFAOYSA-N
MW361.53 g/mol
LogP2.80
Rot. Bonds8

About 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine

1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine (PubChem CID 111838042) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
PubChem CID111838042
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ccc(C/N=C(\NCC)NC2CCN(C(C)C)CC2)cn1
InChIInChI=1S/C20H35N5O/c1-5-13-26-19-8-7-17(14-22-19)15-23-20(21-6-2)24-18-9-11-25(12-10-18)16(3)4/h7-8,14,16,18H,5-6,9-13,15H2,1-4H3,(H2,21,23,24)
InChIKeyCUIIUSNSALAYJU-UHFFFAOYSA-N
XLogP2.80
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-2-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111319044
1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316742
1-cyclopropyl-3-ethyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 110988306
1-cyclopropyl-3-ethyl-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 110989321
1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111316353
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-cyclopropyl-3-ethylguanidine
CID 110987722
2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317952
2-[(3-butoxyphenyl)methyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318069
1-ethyl-3-(3-methylbutyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111548249
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 110986021
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111784366
1-ethyl-2-(naphthalen-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316730

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine (CID 111838042) is 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine is CCCOc1ccc(C/N=C(\NCC)NC2CCN(C(C)C)CC2)cn1.
What is the InChIKey of 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The InChIKey is CUIIUSNSALAYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-5-13-26-19-8-7-17(14-22-19)15-23-20(21-6-2)24-18-9-11-25(12-10-18)16(3)4/h7-8,14,16,18H,5-6,9-13,15H2,1-4H3,(H2,21,23,24).
What are the key properties of 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine?
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine has a molecular weight of 361.53 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111838042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).