N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine

C16H25FN2 — CID 55220491

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1Cc1ccccc1F
InChIInChI=1S/C16H25FN2/c1-2-10-18-12-15-8-5-6-11-19(15)13-14-7-3-4-9-16(14)17/h3-4,7,9,15,18H,2,5-6,8,10-13H2,1H3
InChIKeyDLNIQAZXCKOHOY-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.18
Rot. Bonds6

About N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine

N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine (PubChem CID 55220491) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
PubChem CID55220491
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1Cc1ccccc1F
InChIInChI=1S/C16H25FN2/c1-2-10-18-12-15-8-5-6-11-19(15)13-14-7-3-4-9-16(14)17/h3-4,7,9,15,18H,2,5-6,8,10-13H2,1H3
InChIKeyDLNIQAZXCKOHOY-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(2,4-difluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582020
N-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582200
N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 65318410
N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 114346171
N-[[1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 82919278
N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580578
N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62580726
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581616
N-[[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 62580390
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63848691

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine (CID 55220491) is N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1Cc1ccccc1F.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is DLNIQAZXCKOHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-2-10-18-12-15-8-5-6-11-19(15)13-14-7-3-4-9-16(14)17/h3-4,7,9,15,18H,2,5-6,8,10-13H2,1H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine?
N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55220491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).