1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde

C14H19BrClN3O — CID 137411409

IUPAC1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
SMILESCNCCC1(C=O)CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C14H19BrClN3O/c1-17-5-2-14(10-20)3-6-19(7-4-14)13-11(15)8-18-9-12(13)16/h8-10,17H,2-7H2,1H3
InChIKeyWXPJNCHJCKNLHV-UHFFFAOYSA-N
MW360.68 g/mol
LogP2.89
Rot. Bonds5

About 1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde

1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde (PubChem CID 137411409) has the molecular formula C14H19BrClN3O and a molecular weight of 360.68 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
PubChem CID137411409
Molecular FormulaC14H19BrClN3O
Molecular Weight360.68 g/mol
Exact Mass359.04
IUPAC Name1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
SMILESCNCCC1(C=O)CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C14H19BrClN3O/c1-17-5-2-14(10-20)3-6-19(7-4-14)13-11(15)8-18-9-12(13)16/h8-10,17H,2-7H2,1H3
InChIKeyWXPJNCHJCKNLHV-UHFFFAOYSA-N
XLogP2.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 45274904
1-(3-Bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide
CID 118408029
8-(3-Bromo-5-chloropyridin-4-yl)-3-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 118408094
(3R)-8-(3-bromo-5-chloropyridin-4-yl)-3-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 118408101
(3S)-8-(3-bromo-5-chloropyridin-4-yl)-3-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 129037606
1-(3-Bromo-5-chloro-4-pyridinyl)-4-[3,3-difluoro-2-(methylamino)propyl]piperidine-4-carbaldehyde
CID 137411410
1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide
CID 137411448
7-(3-Bromo-5-chloropyridin-4-yl)-2,7-diazaspiro[4.5]decan-1-one
CID 91928413
1-(3-Bromo-5-chloropyridin-4-yl)piperidine-4-carboxamide
CID 45274281
1-(3,5-Dichloro-4-pyridinyl)piperidine-4-carbaldehyde
CID 88054350
8-(2-Amino-5-bromo-3-chloropyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 90111976
N-butyl-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide
CID 90831556

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde (CID 137411409) is 1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde is CNCCC1(C=O)CCN(c2c(Cl)cncc2Br)CC1.
What is the InChIKey of 1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde?
The InChIKey is WXPJNCHJCKNLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN3O/c1-17-5-2-14(10-20)3-6-19(7-4-14)13-11(15)8-18-9-12(13)16/h8-10,17H,2-7H2,1H3.
What are the key properties of 1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde?
1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde has a molecular weight of 360.68 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-4-pyridinyl)-4-[2-(methylamino)ethyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 137411409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).