2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine

C17H27N5O — CID 168592438

IUPAC2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(OCCCCN2CCCCC2)cc1
InChIInChI=1S/C17H27N5O/c18-17(19)21-20-14-15-6-8-16(9-7-15)23-13-5-4-12-22-10-2-1-3-11-22/h6-9,14H,1-5,10-13H2,(H4,18,19,21)
InChIKeyIEELAQOTNJWJDK-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.94
Rot. Bonds8

About 2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine

2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine (PubChem CID 168592438) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine
PubChem CID168592438
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(OCCCCN2CCCCC2)cc1
InChIInChI=1S/C17H27N5O/c18-17(19)21-20-14-15-6-8-16(9-7-15)23-13-5-4-12-22-10-2-1-3-11-22/h6-9,14H,1-5,10-13H2,(H4,18,19,21)
InChIKeyIEELAQOTNJWJDK-UHFFFAOYSA-N
XLogP1.94
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine
CID 168592435
N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 20986071
(NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride
CID 88520305
2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide
CID 76873988
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
(2E,5E)-2,5-bis[[4-[4-(azepan-1-yl)butoxy]phenyl]methylidene]cyclopentan-1-one
CID 71519171
1-[4-(4-iodophenoxy)butyl]pyrrolidine
CID 2232625
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
(E)-3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]prop-2-enoic acid
CID 23150322

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine (CID 168592438) is 2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccc(OCCCCN2CCCCC2)cc1.
What is the InChIKey of 2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine?
The InChIKey is IEELAQOTNJWJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c18-17(19)21-20-14-15-6-8-16(9-7-15)23-13-5-4-12-22-10-2-1-3-11-22/h6-9,14H,1-5,10-13H2,(H4,18,19,21).
What are the key properties of 2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine?
2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine has a molecular weight of 317.44 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168592438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).