4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline

C15H23FN2 — CID 115054169

IUPAC4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline
SMILESCC(C)(F)c1ccc(NCC2CCCCN2)cc1
InChIInChI=1S/C15H23FN2/c1-15(2,16)12-6-8-13(9-7-12)18-11-14-5-3-4-10-17-14/h6-9,14,17-18H,3-5,10-11H2,1-2H3
InChIKeyYWSUSLAIVZJZSL-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.45
Rot. Bonds4

About 4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline

4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline (PubChem CID 115054169) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline
PubChem CID115054169
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline
SMILESCC(C)(F)c1ccc(NCC2CCCCN2)cc1
InChIInChI=1S/C15H23FN2/c1-15(2,16)12-6-8-13(9-7-12)18-11-14-5-3-4-10-17-14/h6-9,14,17-18H,3-5,10-11H2,1-2H3
InChIKeyYWSUSLAIVZJZSL-UHFFFAOYSA-N
XLogP3.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline
CID 115041678
4-cyclopentyloxy-N-(piperidin-2-ylmethyl)aniline
CID 106633330
4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053482
4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline
CID 106633430
2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 106633355
4-(2-methoxyethoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633476
4-(pyrrolidin-2-ylmethylamino)benzoic acid
CID 106636873
4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 24936245
4-ethylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208091
4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol
CID 135191521
N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide
CID 106633520
2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione
CID 106632832

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of 4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline (CID 115054169) is 4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline is CC(C)(F)c1ccc(NCC2CCCCN2)cc1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is YWSUSLAIVZJZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-15(2,16)12-6-8-13(9-7-12)18-11-14-5-3-4-10-17-14/h6-9,14,17-18H,3-5,10-11H2,1-2H3.
What are the key properties of 4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline?
4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 250.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 115054169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).