4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline

C17H29N3 — CID 54793610

IUPAC4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline
SMILESCCNCC1CCN(Cc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H29N3/c1-4-18-13-15-9-11-20(12-10-15)14-16-5-7-17(8-6-16)19(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyFEYOTYWAXLRUNT-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.57
Rot. Bonds6

About 4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline

4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline (PubChem CID 54793610) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline
PubChem CID54793610
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline
SMILESCCNCC1CCN(Cc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H29N3/c1-4-18-13-15-9-11-20(12-10-15)14-16-5-7-17(8-6-16)19(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyFEYOTYWAXLRUNT-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842554
N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 80550714
2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80550899
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline
CID 80550513
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine
CID 94339766
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
1-[[4-(dimethylamino)phenyl]methyl]-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 71496545
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid
CID 65065662
N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
CID 62591709
4-[(1-benzylpiperidin-4-yl)methyl]-N,N-dimethylaniline;(E)-but-2-enedioic acid
CID 19390935

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline (CID 54793610) is 4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline is CCNCC1CCN(Cc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline?
The InChIKey is FEYOTYWAXLRUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-18-13-15-9-11-20(12-10-15)14-16-5-7-17(8-6-16)19(2)3/h5-8,15,18H,4,9-14H2,1-3H3.
What are the key properties of 4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline?
4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline has a molecular weight of 275.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 54793610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).