N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine

C16H25FN2 — CID 79715212

IUPACN-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccccc1F)CC1CCNCC1
InChIInChI=1S/C16H25FN2/c1-13(2)19(11-14-7-9-18-10-8-14)12-15-5-3-4-6-16(15)17/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyJYAUNFIDBJBRIP-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.04
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine

N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine (PubChem CID 79715212) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
PubChem CID79715212
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccccc1F)CC1CCNCC1
InChIInChI=1S/C16H25FN2/c1-13(2)19(11-14-7-9-18-10-8-14)12-15-5-3-4-6-16(15)17/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyJYAUNFIDBJBRIP-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715282
2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 107692120
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715714
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637313
N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 79714663
5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 79698878
N-[[2-(aminomethyl)phenyl]methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 55001479
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 79701630
3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-fluorobenzonitrile
CID 103912415
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3-fluorobenzonitrile
CID 54948852

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine (CID 79715212) is N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine is CC(C)N(Cc1ccccc1F)CC1CCNCC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The InChIKey is JYAUNFIDBJBRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13(2)19(11-14-7-9-18-10-8-14)12-15-5-3-4-6-16(15)17/h3-6,13-14,18H,7-12H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine has a molecular weight of 264.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 79715212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).