N,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine

C22H37N3 — CID 10472635

IUPACN,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine
SMILESCCN(CC)CCC1CCN(c2ccc(CN3CCCCC3)cc2)C1
InChIInChI=1S/C22H37N3/c1-3-23(4-2)16-12-21-13-17-25(19-21)22-10-8-20(9-11-22)18-24-14-6-5-7-15-24/h8-11,21H,3-7,12-19H2,1-2H3
InChIKeyYNZIVJKQHARDRX-UHFFFAOYSA-N
MW343.56 g/mol
LogP4.23
Rot. Bonds8

About N,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine

N,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine (PubChem CID 10472635) has the molecular formula C22H37N3 and a molecular weight of 343.56 g/mol. Its IUPAC name is N,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine
PubChem CID10472635
Molecular FormulaC22H37N3
Molecular Weight343.56 g/mol
Exact Mass343.30
IUPAC NameN,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine
SMILESCCN(CC)CCC1CCN(c2ccc(CN3CCCCC3)cc2)C1
InChIInChI=1S/C22H37N3/c1-3-23(4-2)16-12-21-13-17-25(19-21)22-10-8-20(9-11-22)18-24-14-6-5-7-15-24/h8-11,21H,3-7,12-19H2,1-2H3
InChIKeyYNZIVJKQHARDRX-UHFFFAOYSA-N
XLogP4.23
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 54.23
H-Bond Donors ≤ 50
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

2-chloro-4-[[4-[2-(diethylamino)ethyl]piperidin-1-yl]methyl]phenol
CID 142098999
4-(1-benzylpiperidin-4-yl)-N,N-diethylbutan-1-amine;ethane
CID 142036971
1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
CID 171069499
1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]azepane
CID 110826346
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine
CID 143255957
ethane;4-ethyl-1-(4-ethylphenyl)piperidine
CID 142390325
1-[(4-methylphenyl)methyl]azepane
CID 3951815
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine
CID 59545859
2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028445
4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide
CID 173073611

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine (CID 10472635) is N,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine is CCN(CC)CCC1CCN(c2ccc(CN3CCCCC3)cc2)C1.
What is the InChIKey of N,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is YNZIVJKQHARDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3/c1-3-23(4-2)16-12-21-13-17-25(19-21)22-10-8-20(9-11-22)18-24-14-6-5-7-15-24/h8-11,21H,3-7,12-19H2,1-2H3.
What are the key properties of N,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine?
N,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 343.56 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 10472635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).