N-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine

C9H19FN2 — CID 105435920

IUPACN-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine
SMILESCCCNCC1(F)CCNCC1
InChIInChI=1S/C9H19FN2/c1-2-5-12-8-9(10)3-6-11-7-4-9/h11-12H,2-8H2,1H3
InChIKeyBQGKQNQEPQGJDN-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.08
Rot. Bonds4

About N-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine

N-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine (PubChem CID 105435920) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is N-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine
PubChem CID105435920
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC NameN-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine
SMILESCCCNCC1(F)CCNCC1
InChIInChI=1S/C9H19FN2/c1-2-5-12-8-9(10)3-6-11-7-4-9/h11-12H,2-8H2,1H3
InChIKeyBQGKQNQEPQGJDN-UHFFFAOYSA-N
XLogP1.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]propan-1-amine
CID 167286422
4-[(pentylamino)methyl]piperidin-4-ol
CID 95438274
N-[(1-methylcyclopropyl)methyl]propan-1-amine
CID 66025109
(3S)-3-ethyl-3-fluoropyrrolidine
CID 129375311
N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride
CID 68863193
3-butyl-3-fluoropyrrolidine
CID 112564219
ethane;N-[(4-ethylpiperidin-4-yl)methyl]ethanamine
CID 143578873
4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride
CID 157040671
N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine
CID 114757564
ethane;1-(4-ethoxypiperidin-4-yl)-N-methylmethanamine
CID 143619913
N-[(4-fluoropiperidin-4-yl)methyl]piperidin-3-amine
CID 105469153
ethane;N-methyl-4-propylpiperidin-4-amine
CID 144797680

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine (CID 105435920) is N-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine is CCCNCC1(F)CCNCC1.
What is the InChIKey of N-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine?
The InChIKey is BQGKQNQEPQGJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-2-5-12-8-9(10)3-6-11-7-4-9/h11-12H,2-8H2,1H3.
What are the key properties of N-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine?
N-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine has a molecular weight of 174.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoropiperidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105435920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).