N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

C18H28N2 — CID 79982309

IUPACN-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccccc1C1CC1)CC1CCNCC1
InChIInChI=1S/C18H28N2/c1-2-20(13-15-9-11-19-12-10-15)14-17-5-3-4-6-18(17)16-7-8-16/h3-6,15-16,19H,2,7-14H2,1H3
InChIKeySZFKSWUAOSRDDP-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.39
Rot. Bonds6

About N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79982309) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79982309
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccccc1C1CC1)CC1CCNCC1
InChIInChI=1S/C18H28N2/c1-2-20(13-15-9-11-19-12-10-15)14-17-5-3-4-6-18(17)16-7-8-16/h3-6,15-16,19H,2,7-14H2,1H3
InChIKeySZFKSWUAOSRDDP-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715535
N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 120858313
1-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604598
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717298
4-[2-(piperidin-4-ylmethyl)phenyl]piperidine
CID 117399981
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79716245
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717050
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715176

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (CID 79982309) is N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is CCN(Cc1ccccc1C1CC1)CC1CCNCC1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is SZFKSWUAOSRDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-20(13-15-9-11-19-12-10-15)14-17-5-3-4-6-18(17)16-7-8-16/h3-6,15-16,19H,2,7-14H2,1H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 272.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79982309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).