N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine

C17H27BrN2O — CID 106640788

IUPACN-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(CCOc1ccc(Br)cc1)CC1CCCNC1
InChIInChI=1S/C17H27BrN2O/c1-2-10-20(14-15-4-3-9-19-13-15)11-12-21-17-7-5-16(18)6-8-17/h5-8,15,19H,2-4,9-14H2,1H3
InChIKeyKYCIJCVPUAAWAT-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.54
Rot. Bonds8

About N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine

N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 106640788) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID106640788
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(CCOc1ccc(Br)cc1)CC1CCCNC1
InChIInChI=1S/C17H27BrN2O/c1-2-10-20(14-15-4-3-9-19-13-15)11-12-21-17-7-5-16(18)6-8-17/h5-8,15,19H,2-4,9-14H2,1H3
InChIKeyKYCIJCVPUAAWAT-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640448
N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79704955
4-bromo-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 107739212
N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929845
N-(piperidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 106640814
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625380
4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 106625159
N-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625231
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine (CID 106640788) is N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine is CCCN(CCOc1ccc(Br)cc1)CC1CCCNC1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is KYCIJCVPUAAWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-2-10-20(14-15-4-3-9-19-13-15)11-12-21-17-7-5-16(18)6-8-17/h5-8,15,19H,2-4,9-14H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 355.32 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106640788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).